data_6q6e_residue ############################ # Computer software used # ############################ 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 6q6e _Structure_validation_residue.Date_analyzed 2019-06-28 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 ' 13' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.464 -0.215 0 CA-C-O 120.752 0.23 . . . . 2.04 112.147 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.4 mm -59.56 -37.46 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 2.8 109.774 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.669 ' HA ' HD12 ' A' ' 49' ' ' LEU . 96.1 mt -58.33 -42.28 86.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.788 -0.642 . . . . 2.67 110.351 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.79 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.989 -0.551 . . . . 1.51 111.115 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.712 HD21 ' HH ' ' A' ' 43' ' ' TYR . 6.7 t30 -65.58 -34.33 77.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.302 0.572 . . . . 2.85 110.036 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' O ' ' HG2' ' A' ' 22' ' ' MET . 73.0 t80 -69.84 -40.32 75.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.87 -0.605 . . . . 1.72 109.991 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 54.4 mm-40 -61.5 -46.15 91.22 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.947 -0.569 . . . . 2.43 111.729 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 24' ' ' MET . 11.0 pt-20 -64.02 -40.77 97.08 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.043 -0.263 . . . . 1.99 110.482 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -60.32 -40.47 90.69 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.424 -0.353 . . . . 1.36 110.887 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 28.1 mmt -64.67 -46.06 84.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.101 -0.5 . . . . 2.03 110.19 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -59.39 -41.45 89.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 3.79 110.598 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.659 ' HA ' ' HB3' ' A' ' 29' ' ' LYS . 85.4 mmm -61.56 -50.15 73.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.778 -0.647 . . . . 2.09 110.669 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.16 62.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.575 0.583 . . . . 1.46 112.575 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -66.04 -40.33 90.9 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.379 0.511 . . . . 1.75 112.379 -172.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 5.62 47.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.112 -0.495 . . . . 2.5 111.719 -173.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 59.74 25.49 14.5 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.552 0.691 . . . . 2.77 109.774 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.659 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 87.1 tttt -75.81 -24.72 55.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.021 -0.991 . . . . 3.7 110.026 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 24' ' ' MET . 10.7 tt -71.07 101.69 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.31 -0.859 . . . . 1.4 110.946 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -68.37 165.36 18.9 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.989 -0.551 . . . . 2.15 110.227 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.56 66.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.709 0.633 . . . . 1.51 112.709 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.06 -33.21 70.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.552 . . . . 1.75 111.19 -177.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -110.9 16.37 21.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.699 -0.682 . . . . 1.45 111.346 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.472 ' HA ' HD11 ' A' ' 30' ' ' ILE . 96.1 p -71.86 -12.08 61.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.344 -0.984 . . . . 1.76 108.344 172.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -85.55 159.41 19.9 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 114.121 -1.4 . . . . 0.94 109.72 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 69.06 0.71 2.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.193 -0.912 . . . . 2.77 110.834 -171.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -107.83 101.29 10.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.208 -0.451 . . . . 2.08 109.893 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.21 118.46 19.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.99 0.424 . . . . 1.52 110.399 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD22 ' HE2' ' A' ' 22' ' ' MET . 8.1 mp -71.22 -17.5 62.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.895 -0.593 . . . . 2.26 110.726 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.444 HD11 HG12 ' A' ' 147' ' ' ILE . 48.6 mm -57.4 -28.98 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.456 -0.793 . . . . 2.48 111.232 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.06 -46.17 68.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.05 0.452 . . . . 2.45 110.624 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.712 ' HH ' HD21 ' A' ' 17' ' ' ASN . 84.5 m-85 -83.86 -30.34 26.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.697 -0.683 . . . . 2.15 110.712 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.489 ' HA ' HD22 ' A' ' 50' ' ' LEU . 1.4 t80 -72.16 -46.52 56.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.595 -0.729 . . . . 2.68 110.518 -172.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -53.27 27.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.0 -0.545 . . . . 1.84 110.549 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -96.33 96.51 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.94 109.521 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.691 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . 66.9 mtt -67.78 85.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.82 -0.627 . . . . 1.99 111.125 -176.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -109.9 -70.75 0.79 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.49 -0.777 . . . . 4.03 110.291 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 15' ' ' LEU . 10.0 tt -66.73 -44.1 82.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.513 -0.767 . . . . 2.71 111.251 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 44' ' ' PHE . 2.2 pp -85.8 0.53 52.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.14 0.422 . . . . 3.85 112.14 -174.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.691 ' HB2' ' HB3' ' A' ' 47' ' ' MET . 39.2 ttpt -104.5 125.09 50.35 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.84 -0.43 . . . . 3.76 109.84 177.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -99.69 91.21 4.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.126 0.489 . . . . 2.55 110.019 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.73 -132.52 11.2 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.639 -0.71 . . . . 1.75 111.996 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -89.64 -4.61 57.71 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.061 0.458 . . . . 2.87 110.949 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.0 p -134.45 160.1 39.03 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.166 -0.47 . . . . 2.03 109.936 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 50' ' ' LEU . 11.2 p -108.86 128.94 64.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 122.049 0.928 . . . . 1.26 109.983 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.493 ' C ' ' H ' ' A' ' 59' ' ' GLN . 51.0 t-20 -71.88 121.61 19.34 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 106.686 -1.598 . . . . 2.33 106.686 172.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.742 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 30.4 m-85 -66.36 3.51 0.92 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.117 0.485 . . . . 1.02 110.872 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 57' ' ' ASN . 9.0 tt0 -72.43 -49.21 35.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.684 -1.228 . . . . 1.97 107.684 172.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 43.7 mmtm -60.38 -46.92 88.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.38 -1.282 . . . . 2.82 109.716 173.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -59.8 -47.46 85.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.379 -0.828 . . . . 1.25 111.659 -177.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.723 ' HB3' ' HG2' ' A' ' 174' ' ' ARG . 51.6 m -66.44 -46.21 77.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.732 0.301 . . . . 1.46 111.063 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.84 -45.23 90.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 1.79 110.948 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 m -71.28 -38.38 71.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 1.96 111.103 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.4 -46.16 84.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.729 0.3 . . . . 2.2 110.445 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.46 -50.74 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.82 110.679 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.62 -33.62 86.68 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.956 -0.565 . . . . 0.61 112.241 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.63 -44.73 95.54 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 110.367 -0.235 . . . . 1.93 110.367 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 178' ' ' ALA . 86.6 t -60.86 -37.56 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.007 0.432 . . . . 2.13 110.412 177.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -64.16 -51.51 63.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.803 -0.635 . . . . 3.41 111.108 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.8 tt -72.7 -35.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.719 0.295 . . . . 1.8 111.275 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 1.017 ' HH ' ' HB2' ' A' ' 144' ' ' LYS . 68.4 t80 -58.48 -47.44 84.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.068 0.461 . . . . 1.14 110.799 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 p -75.71 -25.46 56.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.059 -0.519 . . . . 1.34 111.425 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.1 m -70.62 -36.86 73.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.878 0.37 . . . . 1.89 110.057 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -65.22 -46.88 78.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 2.35 111.669 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.901 HG22 ' HG ' ' A' ' 189' ' ' LEU . 12.7 p -62.38 -35.01 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.279 0.561 . . . . 1.48 109.995 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.5 -37.37 83.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 1.87 110.374 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.1 m -65.87 -31.12 71.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 1.71 111.262 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG11 ' SD ' ' A' ' 137' ' ' MET . 13.7 t -62.25 -50.22 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.491 -0.559 . . . . 2.02 109.491 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.99 78.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.7 -0.682 . . . . 1.45 110.741 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.3 m -61.37 -48.3 81.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.046 0.451 . . . . 2.29 110.593 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 2.42 110.09 179.727 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.983 0.421 . . . . 4.91 110.646 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -67.23 -46.82 72.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.797 -0.638 . . . . 5.02 110.166 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.87 -50.23 71.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.659 -0.7 . . . . 3.16 110.512 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 67.1 mtt -61.78 -37.99 86.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.398 -0.819 . . . . 3.96 111.156 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 m -67.94 -34.57 76.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.673 -0.24 . . . . 1.99 110.773 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.03 -41.51 81.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.858 0.361 . . . . 2.57 110.496 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -61.37 -49.16 78.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.511 . . . . 4.02 110.047 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -61.97 -31.89 72.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.378 -0.828 . . . . 1.92 110.92 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 39.3 tpp -61.13 -53.21 59.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.188 -0.46 . . . . 1.63 110.072 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.544 ' HE2' HG23 ' A' ' 76' ' ' VAL . 87.1 mmm -65.58 -36.13 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.731 -0.668 . . . . 1.97 110.538 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.66 -39.64 81.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 3.84 110.199 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 68.6 m -65.83 -44.39 85.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.06 -0.518 . . . . 1.61 110.533 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.458 HG12 ' HB ' ' A' ' 76' ' ' VAL . 73.3 t -59.85 -46.25 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.017 0.437 . . . . 1.79 110.786 178.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 137' ' ' MET . 81.1 mt -65.65 -34.99 79.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 2.05 110.605 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.618 ' HG2' ' HE2' ' A' ' 146' ' ' LYS . 38.7 ttmt -61.3 -44.28 97.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.698 -0.683 . . . . 3.34 110.341 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 147' ' ' ILE . 1.1 m-20 -58.57 -41.17 85.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.127 -0.488 . . . . 1.64 110.537 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 1.017 ' HB2' ' HH ' ' A' ' 72' ' ' TYR . 37.4 ttpt -56.13 -47.76 77.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 2.41 111.317 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.461 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 37.7 m80 -61.88 -37.95 86.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.138 0.494 . . . . 0.97 110.083 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.618 ' HE2' ' HG2' ' A' ' 142' ' ' LYS . 68.0 mttm -67.08 -37.4 83.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.695 -0.684 . . . . 3.26 111.176 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 143' ' ' ASP . 72.5 mt -59.98 -48.01 89.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.768 -0.456 . . . . 1.32 109.768 175.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.41 -44.96 85.02 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.47 -0.786 . . . . 2.39 111.056 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 46.4 mt-10 -60.32 -44.91 95.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.105 0.479 . . . . 2.47 110.887 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.5 m -70.51 -43.45 69.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.901 -0.59 . . . . 1.44 112.095 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 34.5 pt -63.28 -33.48 61.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.682 -0.407 . . . . 1.68 110.201 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.05 95.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.335 -0.393 . . . . 1.24 110.602 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 37.3 m -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.057 0.456 . . . . 1.27 110.684 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 70.7 mt -64.56 -33.28 75.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.028 -0.533 . . . . 1.97 110.726 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.89 -31.81 71.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.966 -0.561 . . . . 0.78 109.927 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.13 -43.84 90.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.955 -0.566 . . . . 2.52 110.219 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -59.34 -40.78 87.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 1.28 110.368 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.502 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 27.6 ttpp -70.29 -20.59 63.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.922 -0.581 . . . . 2.51 110.891 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -84.85 -38.71 19.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.976 0.417 . . . . 4.22 110.257 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.19 -42.6 55.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.074 -0.512 . . . . 3.38 111.16 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -80.95 134.17 35.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.908 0.385 . . . . 1.97 110.938 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 37.5 m -81.27 -27.39 35.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.066 -0.516 . . . . 4.06 110.705 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 128.16 43.1 0.24 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.685 -0.769 . . . . 3.39 112.101 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -78.05 -86.09 0.48 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.779 -0.724 . . . . 3.62 111.937 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 50.2 m -94.3 -27.85 15.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.978 0.418 . . . . 3.61 110.865 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . 0.406 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . . . -81.62 127.19 32.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.138 -0.483 . . . . 4.07 110.209 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -78.26 75.25 1.95 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.062 -0.59 . . . . 1.78 112.011 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' THR . . . . . 0.502 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 24.5 p -59.05 -44.39 91.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.967 0.413 . . . . 2.0 111.342 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -68.03 -41.28 82.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.942 -0.572 . . . . 4.19 110.573 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 60.9 ttp -63.22 -44.75 94.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 1.53 110.573 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.742 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 83.1 t80 -67.04 -34.67 78.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.99 111.158 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -54.55 -56.08 22.67 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.293 0.568 . . . . 2.38 110.176 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 177' ' ' LYS . 19.4 t70 -67.62 -31.71 71.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 2.29 111.277 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.723 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 4.7 tpt180 -74.54 -39.56 62.25 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.956 -0.298 . . . . 4.06 110.867 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 22.2 ttmt -59.55 -55.58 32.75 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.861 0.362 . . . . 1.78 110.091 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.56 -33.6 74.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.809 -0.632 . . . . 1.35 110.933 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . 0.684 ' HB2' ' HZ1' ' A' ' 177' ' ' LYS . 0.1 OUTLIER -66.26 -45.22 81.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 2.5 109.952 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.477 ' HB3' HG23 ' A' ' 69' ' ' VAL . . . -68.77 -39.71 80.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.832 -0.622 . . . . 1.48 110.769 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 80.5 mt -67.18 -28.26 67.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 2.23 111.115 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -69.28 -43.72 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.757 -0.46 . . . . 3.56 109.757 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 32.2 m -65.54 -36.87 85.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.24 0.543 . . . . 1.74 110.134 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 25.2 ttt -63.99 -40.9 97.43 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.63 -0.714 . . . . 1.17 110.315 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -69.32 -35.27 75.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 1.26 111.116 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -58.27 -55.93 28.58 Favored 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 123.293 0.637 . . . . 3.33 111.025 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -77.36 -11.03 59.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.049 -0.523 . . . . 2.71 111.236 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 18.2 t70 -61.25 -33.71 73.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.25 -0.432 . . . . 1.16 110.334 177.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.37 -37.82 87.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.79 -0.641 . . . . 3.01 110.242 176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 192' ' ' ILE . 84.8 tttt -73.67 -42.32 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 3.19 110.171 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.901 ' HG ' HG22 ' A' ' 76' ' ' VAL . 9.5 tt -61.54 -51.16 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.957 -0.565 . . . . 1.95 110.856 -178.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.18 -34.68 78.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.016 -0.273 . . . . 2.72 110.614 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 7.3 tp10 -60.22 -51.7 68.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 2.86 110.219 177.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 188' ' ' LYS . 85.1 mt -56.32 -45.56 81.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.149 -0.478 . . . . 1.6 110.58 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 11.0 m -57.17 -47.75 80.44 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.05 -0.523 . . . . 2.11 110.943 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -67.44 -46.26 73.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.792 -0.64 . . . . 3.84 110.725 -176.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 83.2 mt -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.804 0.335 . . . . 4.02 110.739 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.475 0.655 . . . . 3.89 109.934 176.801 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.46 -0.471 0 N-CA-C 111.499 -0.231 . . . . 2.04 111.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.581 HG13 HD21 ' A' ' 49' ' ' LEU . 34.9 pt -68.49 -16.94 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.563 -0.289 . . . . 2.8 111.31 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -61.03 -44.76 96.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.917 0.389 . . . . 2.67 110.234 170.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.656 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . . . -74.84 -29.59 61.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.74 -0.663 . . . . 1.51 110.435 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 31.1 t30 -66.6 -43.33 85.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.707 -0.679 . . . . 2.85 110.0 174.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -71.69 -42.1 67.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 1.72 111.434 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.656 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 11.4 pt-20 -64.72 -32.45 74.14 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.903 -0.319 . . . . 2.43 110.173 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 24' ' ' MET . 7.0 tp10 -61.94 -46.39 89.51 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.332 -0.618 . . . . 1.99 109.332 175.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 39.3 m0 -59.91 -47.08 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.723 -0.671 . . . . 1.36 111.002 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.556 ' HA ' ' HE2' ' A' ' 22' ' ' MET . 29.6 mmt -59.59 -41.9 91.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 2.03 110.804 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -66.38 -50.64 62.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 3.79 110.524 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.554 ' HB2' ' HZ ' ' A' ' 38' ' ' PHE . 79.2 mtp -63.04 -34.97 78.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 2.09 111.597 -178.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.4 -49.94 61.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.75 0.31 . . . . 1.46 111.156 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 p -71.42 -36.36 71.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.332 -0.394 . . . . 1.75 111.856 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.91 -5.54 57.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.945 0.403 . . . . 2.5 110.841 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 63.55 25.45 14.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.627 0.727 . . . . 2.77 110.414 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 24.3 tptm -74.62 -20.52 59.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.935 -1.029 . . . . 3.7 109.423 176.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 tt -65.64 92.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.739 0.78 . . . . 1.4 110.771 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -75.48 168.36 20.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 2.15 110.294 174.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.09 76.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.257 -0.429 . . . . 1.51 111.623 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.48 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.792 0.293 . . . . 1.75 111.792 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.509 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -104.68 14.22 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.155 0.428 . . . . 1.45 112.155 -178.458 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.0 p -65.98 -27.31 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.134 -1.061 . . . . 1.76 108.134 170.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -75.28 140.56 43.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.738 -1.119 . . . . 0.94 109.261 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 68.25 11.82 8.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.068 -0.969 . . . . 2.77 111.164 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.554 ' HZ ' ' HB2' ' A' ' 24' ' ' MET . 1.8 t80 -91.82 7.2 42.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.135 0.493 . . . . 2.08 110.167 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.21 122.03 20.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.357 0.599 . . . . 1.52 112.336 -172.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.414 HD21 ' HE3' ' A' ' 22' ' ' MET . 10.5 mp -70.55 -17.02 62.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.355 -0.839 . . . . 2.26 110.514 173.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 147' ' ' ILE . 7.3 tp -57.13 -30.19 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 115.569 -0.741 . . . . 2.48 112.311 -172.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.92 -35.5 81.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.56 0.695 . . . . 2.45 110.092 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -83.18 -27.94 29.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.03 -0.986 . . . . 2.15 110.485 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' HD2' HD13 ' A' ' 41' ' ' ILE . 19.5 m-30 -63.0 -34.55 77.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 2.68 110.737 173.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -75.79 -57.15 4.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 1.84 110.735 175.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -84.61 85.26 7.44 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.184 -0.673 . . . . 2.94 109.184 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.514 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 63.1 mtt -71.29 83.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.807 -0.633 . . . . 1.99 111.88 -171.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -110.6 -44.14 3.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.668 -0.696 . . . . 4.03 109.293 172.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.581 HD21 HG13 ' A' ' 14' ' ' ILE . 89.7 mt -90.15 -33.03 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 2.71 111.2 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 56' ' ' VAL . 53.2 tp -76.34 -36.15 58.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.314 0.578 . . . . 3.85 110.398 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.514 ' CB ' ' HB3' ' A' ' 47' ' ' MET . 27.2 ttpp -97.92 123.7 42.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 3.76 110.164 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.02 96.9 8.8 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.842 -0.799 . . . . 2.55 108.842 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.0 -115.47 4.37 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.937 -0.649 . . . . 1.75 111.629 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -118.32 10.34 12.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.879 0.371 . . . . 2.87 110.864 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.1 t -138.55 144.86 40.07 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.882 -0.784 . . . . 2.03 108.882 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 50' ' ' LEU . 14.4 p -95.91 131.19 43.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.719 0.771 . . . . 1.26 110.487 -178.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.517 ' HB2' ' HE3' ' A' ' 60' ' ' LYS . 12.0 m120 -84.15 106.26 15.65 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.752 -1.113 . . . . 2.33 108.603 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.587 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 94.3 m-85 -66.4 -7.31 18.45 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.827 -0.624 . . . . 1.02 111.163 -174.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.26 -57.34 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.089 -0.708 . . . . 1.97 109.089 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 18.5 ptpt -65.43 -30.65 71.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.4 -0.818 . . . . 2.82 109.954 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.587 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -62.15 -40.18 95.1 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.237 -0.438 . . . . 1.25 110.593 175.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m -62.16 -44.41 96.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.46 110.759 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.63 -46.13 70.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.985 -0.552 . . . . 1.79 110.937 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.8 p -68.33 -36.83 79.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.133 -0.485 . . . . 1.96 111.617 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -47.27 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.793 -0.447 . . . . 2.2 109.793 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.87 -40.06 91.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.031 0.444 . . . . 0.82 110.952 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.29 -45.35 80.81 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.481 -0.866 . . . . 0.61 111.916 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.413 ' HA ' HG12 ' A' ' 71' ' ' ILE . 33.0 t -64.94 -38.43 90.93 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.305 0.113 . . . . 1.93 111.305 -177.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.19 -36.31 72.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 120.701 -0.399 . . . . 2.13 110.786 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -68.11 -46.17 71.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.754 0.311 . . . . 3.41 110.665 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.479 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 42.9 pt -70.99 -32.98 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.958 -0.297 . . . . 1.8 110.952 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.565 ' HA ' ' HD3' ' A' ' 75' ' ' ARG . 74.6 t80 -57.63 -49.8 75.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.153 0.501 . . . . 1.14 110.289 175.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.9 p -70.46 -25.61 63.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.929 -0.578 . . . . 1.34 110.684 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.1 t -67.53 -26.97 66.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.106 0.479 . . . . 1.89 109.921 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.565 ' HD3' ' HA ' ' A' ' 72' ' ' TYR . 65.5 mtp180 -73.32 -32.72 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.55 -0.537 . . . . 2.35 109.55 174.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.642 HG13 HD12 ' A' ' 192' ' ' ILE . 62.3 t -66.96 -37.23 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.911 -0.586 . . . . 1.48 109.579 172.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.26 -31.95 73.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.16 -0.473 . . . . 1.87 110.188 171.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -67.19 -46.44 73.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.606 . . . . 1.71 111.088 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.85 -33.91 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.596 -0.442 . . . . 2.02 110.43 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.16 -30.56 67.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.137 0.494 . . . . 1.45 110.621 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -65.45 -37.31 86.5 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.417 -0.586 . . . . 2.29 109.417 173.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.477 ' HG3' ' HE1' ' A' ' 136' ' ' MET . 17.9 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.674 -0.693 . . . . 2.42 110.676 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.902 0.382 . . . . 4.91 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.61 -44.87 73.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.529 . . . . 5.02 110.156 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 32.1 tt0 -64.36 -39.14 93.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 3.16 110.538 178.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 65.5 mtt -60.48 -43.37 97.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.411 . . . . 3.96 110.932 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.2 t -61.52 -42.98 99.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.468 -0.567 . . . . 1.99 109.468 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.52 -43.54 93.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.564 -0.744 . . . . 2.57 109.896 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 66.7 mttm -56.69 -43.56 80.64 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 115.898 -0.592 . . . . 4.02 110.167 175.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -63.98 -45.48 88.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 1.92 110.909 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' MET . . . . . 0.552 ' O ' HG21 ' A' ' 140' ' ' VAL . 0.9 OUTLIER -58.07 -49.9 75.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 1.63 110.777 177.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.544 ' HE1' ' HA ' ' A' ' 193' ' ' THR . 85.9 mtp -66.25 -39.28 89.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 1.97 111.39 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -58.21 -42.6 86.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 3.84 109.836 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 43.5 m -64.14 -38.08 89.78 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.356 -0.838 . . . . 1.61 110.971 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 136' ' ' MET . 71.8 t -55.61 -51.91 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 121.231 0.539 . . . . 1.79 110.866 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 64.8 mt -75.28 -26.81 59.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.087 -0.506 . . . . 2.05 111.504 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -67.82 -41.69 82.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.319 -0.623 . . . . 3.34 109.319 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . 0.445 ' HB3' ' HE1' ' A' ' 72' ' ' TYR . 11.6 t70 -62.27 -38.05 87.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.228 -0.897 . . . . 1.64 109.833 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.527 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 61.1 tttp -55.15 -45.79 75.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.503 -0.771 . . . . 2.41 110.844 177.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -63.48 -34.05 76.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.97 110.504 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -66.29 -37.67 85.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 3.26 110.352 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.669 ' HA ' HD11 ' A' ' 41' ' ' ILE . 63.1 mt -63.85 -50.57 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 1.32 110.173 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.4 -46.53 69.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.836 -0.62 . . . . 2.39 110.254 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.13 -47.04 78.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.268 -0.878 . . . . 2.47 110.978 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 73.8 m -64.0 -38.89 92.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 1.44 111.504 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 147' ' ' ILE . 77.9 mt -56.41 -51.4 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 1.68 110.645 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.73 -30.03 69.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 1.24 111.476 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 49.5 m -73.74 -46.49 45.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.423 -0.353 . . . . 1.27 111.234 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.85 -32.11 73.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 1.97 110.572 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.657 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 13.5 t70 -65.29 -35.86 82.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.78 109.915 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.45 ' OE2' ' HD2' ' A' ' 159' ' ' ARG . 4.7 mm-40 -59.56 -46.91 87.53 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.318 -0.401 . . . . 2.52 110.962 174.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -58.38 -36.95 74.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.988 0.423 . . . . 1.28 110.456 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.55 ' HA ' HG22 ' A' ' 168' ' ' THR . 47.1 tttm -66.02 -41.08 91.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.661 -0.699 . . . . 2.51 110.793 177.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' ' 155' ' ' ASP . 95.1 mtt180 -63.4 -49.73 72.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.959 -0.564 . . . . 4.22 111.08 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -71.36 -44.58 64.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.03 -0.532 . . . . 3.38 110.69 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . 61.39 162.07 0.07 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.676 0.75 . . . . 1.97 112.523 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 15.0 m -125.09 83.2 2.13 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.898 -0.592 . . . . 4.06 109.476 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 62.94 -133.52 43.48 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.465 -0.654 . . . . 3.39 111.465 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -86.42 75.69 2.21 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.185 -0.766 . . . . 3.62 111.185 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 15.8 m -74.55 -35.71 63.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.397 0.141 . . . . 3.61 110.873 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . 71.62 -50.29 0.69 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.68 0.792 . . . . 4.07 112.238 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.83 -13.36 46.66 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.46 -0.336 . . . . 1.78 112.887 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 158' ' ' LYS . 8.0 p -61.22 -42.33 98.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.969 0.414 . . . . 2.0 110.722 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.568 . . . . 4.19 109.872 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 43.3 ttp -61.02 -37.86 84.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.725 -0.671 . . . . 1.53 111.045 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.458 ' HD2' ' HD2' ' A' ' 158' ' ' LYS . 84.2 t80 -61.15 -31.43 71.16 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.99 111.097 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.535 ' HB2' ' HE3' ' A' ' 158' ' ' LYS . 9.4 tp10 -62.01 -49.32 76.51 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.88 -0.415 . . . . 2.38 109.88 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 177' ' ' LYS . 42.4 m-20 -71.85 -34.15 69.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.871 -0.604 . . . . 2.29 111.196 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -69.94 -43.21 72.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.593 -0.276 . . . . 4.06 110.778 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.426 ' O ' HD12 ' A' ' 179' ' ' LEU . 35.0 ttpt -57.33 -55.22 37.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.021 -0.536 . . . . 1.78 110.482 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.445 ' HB2' ' HE2' ' A' ' 180' ' ' LYS . 10.0 pt-20 -62.43 -39.27 92.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.94 -0.304 . . . . 1.35 110.793 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 173' ' ' ASP . 6.7 tppt? -60.39 -50.42 73.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.003 0.43 . . . . 2.5 110.165 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -67.8 -42.86 80.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.837 -0.619 . . . . 1.48 111.247 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 175' ' ' LYS . 8.5 mp -65.64 -45.95 81.07 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.051 0.389 . . . . 2.23 112.051 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 176' ' ' GLU . 68.2 mttm -67.58 -34.43 77.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.678 0.275 . . . . 3.56 110.963 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.4 m -74.29 -37.05 63.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.132 0.491 . . . . 1.74 110.053 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.2 ttt -65.53 -37.8 87.79 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.994 -0.548 . . . . 1.17 110.297 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . 0.454 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -59.7 -28.6 67.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 1.26 111.395 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -71.93 -42.83 66.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.976 0.417 . . . . 3.33 110.566 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -76.58 -23.77 53.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.099 0.476 . . . . 2.71 110.375 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.18 -29.98 69.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.637 -0.71 . . . . 1.16 110.025 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 89.0 mt -66.24 -38.68 88.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.123 0.487 . . . . 3.01 109.697 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 191' ' ' GLU . 77.0 tttt -67.21 -38.58 85.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.478 -0.783 . . . . 3.19 110.095 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.43 -51.8 67.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.695 -0.684 . . . . 1.95 109.44 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -61.63 -31.3 71.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.935 -0.575 . . . . 2.72 111.138 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 29.9 tt0 -60.48 -54.27 47.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.816 -0.439 . . . . 2.86 109.816 175.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' ILE . . . . . 0.642 HD12 HG13 ' A' ' 76' ' ' VAL . 62.1 mt -62.25 -42.48 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.717 -0.674 . . . . 1.6 111.132 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.544 ' HA ' ' HE1' ' A' ' 137' ' ' MET . 75.2 p -67.29 -41.04 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.823 -0.351 . . . . 2.11 111.245 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.86 -44.44 80.95 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.223 -0.444 . . . . 3.84 110.409 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 84.9 mt -66.45 -48.55 69.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.29 -0.414 . . . . 4.02 110.903 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 192' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 112.024 0.379 . . . . 3.89 112.024 -174.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 N--CA 1.463 -0.309 0 N-CA-C 111.491 -0.234 . . . . 2.04 111.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.53 -37.54 78.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.422 -0.354 . . . . 2.8 111.218 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 79.8 mt -57.15 -47.78 80.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 2.67 110.329 174.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.35 -34.59 74.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 1.51 110.78 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.667 HD21 ' HH ' ' A' ' 43' ' ' TYR . 8.7 t30 -59.41 -45.18 92.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.989 -0.55 . . . . 2.85 110.468 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -69.42 -40.21 77.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 1.72 110.825 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 49.7 mt-10 -62.9 -38.9 92.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 2.43 110.621 177.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 24' ' ' MET . 35.5 tt0 -65.6 -37.7 87.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.927 -0.579 . . . . 1.99 109.96 177.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -61.65 -40.05 93.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.931 -0.577 . . . . 1.36 110.673 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.533 ' HE3' ' HA ' ' A' ' 22' ' ' MET . 29.5 mmt -63.18 -38.17 90.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 2.03 110.289 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -64.01 -43.9 94.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 3.79 110.177 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 29' ' ' LYS . 95.4 mmm -60.07 -43.46 95.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 2.09 110.471 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.31 -55.53 10.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 1.46 112.107 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -65.31 -42.8 92.66 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.998 0.37 . . . . 1.75 111.998 -174.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.94 2.25 43.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.317 0.579 . . . . 2.5 110.378 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.82 31.32 20.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.3 -0.864 . . . . 2.77 111.38 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 24' ' ' MET . 14.4 mmmm -80.09 -16.3 55.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 3.7 110.288 177.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.421 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 10.4 tt -73.03 107.73 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-O 121.727 0.775 . . . . 1.4 109.964 176.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -102.11 -166.68 1.31 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.589 -0.732 . . . . 2.15 109.047 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.56 -51.27 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.303 0.483 . . . . 1.51 112.303 -172.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.66 -31.08 70.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.986 0.422 . . . . 1.75 111.763 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' A' ' 30' ' ' ILE . 8.0 p30 -109.89 14.81 23.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.333 -0.394 . . . . 1.45 110.86 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -71.17 -23.48 62.06 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.131 -1.063 . . . . 1.76 108.131 170.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.404 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 48.2 m95 -87.19 156.92 19.48 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.768 -1.105 . . . . 0.94 109.723 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 96.0 m-20 70.88 1.65 3.86 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.554 0.741 . . . . 2.77 110.825 -173.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.631 ' HB3' HD11 ' A' ' 71' ' ' ILE . 16.0 m-85 -111.07 90.33 3.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.082 -0.508 . . . . 2.08 110.195 175.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.61 118.82 25.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.482 . . . . 1.52 110.322 173.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.6 mt -73.13 -17.7 61.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.628 -0.715 . . . . 2.26 110.96 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.7 -37.65 54.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.5 -0.773 . . . . 2.48 111.778 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.0 -36.77 75.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 2.45 110.734 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.667 ' HH ' HD21 ' A' ' 17' ' ' ASN . 94.9 m-85 -83.91 -31.85 25.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.078 -0.51 . . . . 2.15 111.56 -178.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.412 ' CD1' HG21 ' A' ' 150' ' ' THR . 24.4 m-85 -67.28 -42.03 84.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.702 -0.226 . . . . 2.68 111.587 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -75.88 -23.62 55.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.555 -0.293 . . . . 1.84 111.07 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.29 -52.91 9.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 2.94 109.989 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.2 mtt 69.35 -49.48 0.61 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.163 -0.926 . . . . 1.99 112.692 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.578 ' HA ' ' HB3' ' A' ' 51' ' ' LYS . 8.5 t -54.05 -23.95 15.48 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.261 0.624 . . . . 4.03 112.185 -172.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.499 ' HG ' ' HD2' ' A' ' 43' ' ' TYR . 2.8 tm? -48.75 -50.45 33.78 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.911 0.386 . . . . 2.71 110.201 173.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.572 ' HB2' ' HZ3' ' A' ' 60' ' ' LYS . 66.8 mt -121.41 26.06 9.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 3.85 110.911 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.578 ' HB3' ' HA ' ' A' ' 48' ' ' SER . 49.3 tttm -118.6 127.71 53.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.287 -0.415 . . . . 3.76 109.892 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -110.42 113.07 25.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.259 -0.428 . . . . 2.55 110.746 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.29 -106.45 2.1 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 121.054 -0.593 . . . . 1.75 112.399 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -119.72 -24.76 6.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.856 0.36 . . . . 2.87 110.7 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.0 t -94.15 170.61 9.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.099 0.476 . . . . 2.03 110.602 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.16 135.22 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.86 -0.609 . . . . 1.26 110.08 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -66.76 103.96 1.22 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.064 -0.516 . . . . 2.33 109.735 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.443 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 86.0 m-85 -70.04 -9.63 55.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.918 -0.583 . . . . 1.02 110.355 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -58.88 3.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.764 -0.828 . . . . 1.97 108.764 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.572 ' HZ3' ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -68.68 -28.34 66.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.354 -0.839 . . . . 2.82 110.244 177.493 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -66.09 -47.06 75.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 1.25 111.31 -176.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.662 ' HB2' ' HG2' ' A' ' 174' ' ' ARG . 19.4 p -69.39 -35.95 76.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.005 0.431 . . . . 1.46 110.331 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.1 t -61.05 -50.81 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.656 -0.702 . . . . 1.79 110.334 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.0 p -66.66 -28.6 68.6 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.212 -0.449 . . . . 1.96 111.252 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.95 -44.39 76.88 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.767 -0.457 . . . . 2.2 109.767 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.39 -42.61 98.81 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.159 0.504 . . . . 0.82 110.351 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.23 -32.99 86.04 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.832 -0.699 . . . . 0.61 111.822 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.627 ' HA ' HG21 ' A' ' 71' ' ' ILE . 49.8 t -64.01 -38.01 89.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.623 0.249 . . . . 1.93 110.549 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.81 -39.9 85.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.29 0.566 . . . . 2.13 110.087 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -68.41 -50.98 48.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.792 -0.64 . . . . 3.41 110.924 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.631 HD11 ' HB3' ' A' ' 38' ' ' PHE . 15.2 tt -65.64 -33.72 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 1.8 110.845 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.851 ' HH ' ' HB2' ' A' ' 144' ' ' LYS . 76.2 t80 -54.05 -54.72 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 1.14 110.352 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.883 HG22 ' HB3' ' A' ' 185' ' ' LYS . 25.4 p -75.69 -24.91 56.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.017 -0.538 . . . . 1.34 111.833 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -62.54 -40.27 96.28 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.659 -0.496 . . . . 1.89 109.659 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 79' ' ' VAL . 88.4 mtm180 -67.05 -41.13 87.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.953 -0.567 . . . . 2.35 110.322 176.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.623 HG11 HD13 ' A' ' 192' ' ' ILE . 90.8 t -57.62 -42.17 80.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.19 0.519 . . . . 1.48 110.404 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.87 -42.58 94.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.654 -0.703 . . . . 1.87 110.572 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.2 m -63.75 -31.43 72.6 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.87 -0.605 . . . . 1.71 110.985 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 75' ' ' ARG . 41.0 t -62.76 -41.62 93.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.248 -0.433 . . . . 2.02 109.99 175.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.7 -24.5 67.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.588 0.588 . . . . 1.45 112.588 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.4 m -74.01 -46.27 44.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.467 0.651 . . . . 2.29 109.634 171.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.827 ' HB3' HD21 ' A' ' 133' ' ' LEU . 1.8 tp10 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.212 -0.904 . . . . 2.42 111.399 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.922 0.392 . . . . 4.91 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -61.03 -27.99 68.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.032 -0.531 . . . . 5.02 111.91 -174.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.3 OUTLIER -56.08 -29.42 60.52 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.669 0.271 . . . . 3.16 111.355 -178.209 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.825 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 71.5 mtm -67.56 -40.38 84.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.838 0.351 . . . . 3.96 110.7 -178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -72.95 -31.01 64.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.134 0.492 . . . . 1.99 109.794 174.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.827 HD21 ' HB3' ' A' ' 82' ' ' GLU . 8.1 mt -62.65 -45.65 91.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.798 -0.637 . . . . 2.57 112.628 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.825 ' HE2' ' HA ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -59.82 -38.28 81.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.328 -0.619 . . . . 4.02 109.328 177.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.3 -45.47 84.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.658 -0.701 . . . . 1.92 110.524 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' MET . . . . . 0.62 ' HE1' ' HG2' ' A' ' 82' ' ' GLU . 73.1 mtm -66.96 -43.28 83.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.697 -0.229 . . . . 1.63 111.522 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.528 ' O ' HG23 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -60.65 -46.55 89.9 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.059 0.457 . . . . 1.97 110.491 175.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -66.63 -25.31 66.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 3.84 110.956 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' THR . . . . . 0.601 ' HA ' ' HE3' ' A' ' 142' ' ' LYS . 23.2 m -64.75 -48.08 75.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.447 -0.342 . . . . 1.61 111.052 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 137' ' ' MET . 18.3 m -64.67 -33.41 63.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.175 -0.61 . . . . 1.79 110.122 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.553 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 53.0 mt -74.19 -40.52 62.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.968 0.359 . . . . 2.05 111.968 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.601 ' HE3' ' HA ' ' A' ' 139' ' ' THR . 22.1 pttp -69.96 -39.91 75.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.013 -0.366 . . . . 3.34 110.013 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . 0.523 ' O ' HG13 ' A' ' 147' ' ' ILE . 1.4 m-20 -64.76 -32.41 74.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.973 -0.558 . . . . 1.64 110.145 176.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.851 ' HB2' ' HH ' ' A' ' 72' ' ' TYR . 58.9 tttp -53.87 -53.15 56.57 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.064 -0.516 . . . . 2.41 110.289 173.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 149' ' ' GLU . 36.2 m80 -62.77 -41.13 99.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.741 -0.663 . . . . 0.97 110.293 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 74.1 mmtt -60.2 -41.82 93.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 3.26 111.557 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 143' ' ' ASP . 81.8 mt -62.59 -46.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.954 -0.387 . . . . 1.32 109.954 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -54.74 -44.84 73.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 2.39 110.649 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 145' ' ' HIS . 71.9 mm-40 -60.25 -42.75 95.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.903 -0.59 . . . . 2.47 110.859 177.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' THR . . . . . 0.412 HG21 ' CD1' ' A' ' 44' ' ' PHE . 33.1 m -63.57 -44.94 92.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.774 -0.648 . . . . 1.44 111.0 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 147' ' ' ILE . 69.8 mt -59.79 -41.92 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 1.68 110.618 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.92 -34.21 76.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.409 . . . . 1.24 111.264 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.704 ' O ' ' HG2' ' A' ' 156' ' ' GLU . 76.0 m -73.4 -45.0 57.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 1.27 111.25 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.445 HD22 ' CE1' ' A' ' 171' ' ' PHE . 15.8 tp -66.18 -28.11 68.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.551 0.691 . . . . 1.97 109.549 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.19 -38.6 78.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.21 -0.905 . . . . 0.78 111.463 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.704 ' HG2' ' O ' ' A' ' 153' ' ' THR . 9.5 pt-20 -70.93 -23.81 62.32 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.959 0.409 . . . . 2.52 110.283 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -69.68 -33.66 72.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.467 -0.333 . . . . 1.28 110.482 172.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.587 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 63.1 tttt -71.51 -21.74 61.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.54 0.686 . . . . 2.51 109.86 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.98 -48.86 27.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.649 -0.705 . . . . 4.22 110.555 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -75.1 -36.43 61.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.866 0.365 . . . . 3.38 110.869 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -109.89 98.3 7.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 1.97 109.836 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 7.1 p -64.87 -41.77 95.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.734 -0.666 . . . . 4.06 111.721 -175.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -129.13 -36.38 0.43 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.623 -0.799 . . . . 3.39 112.761 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 61.48 -114.38 6.65 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.931 -0.868 . . . . 3.62 110.931 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.5 t -110.56 -54.55 2.57 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.478 -0.934 . . . . 3.61 108.478 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -173.1 132.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.267 -0.879 . . . . 4.07 109.63 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 140.97 -30.37 2.27 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.231 -0.985 . . . . 1.78 112.891 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' THR . . . . . 0.587 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 39.2 p -64.34 -44.06 92.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 2.0 111.46 -176.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -72.38 -33.65 67.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.87 0.367 . . . . 4.19 110.527 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' MET . . . . . 0.452 ' HE1' ' HB3' ' A' ' 170' ' ' MET . 13.9 tmm? -69.3 -33.3 72.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 1.53 110.27 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.445 ' CE1' HD22 ' A' ' 154' ' ' LEU . 44.5 t80 -58.25 -34.29 70.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.123 -0.49 . . . . 0.99 110.525 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.12 -44.41 79.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.07 0.462 . . . . 2.38 110.144 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.12 -35.54 81.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.352 -0.84 . . . . 2.29 110.4 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.662 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 20.6 tpp180 -75.44 -39.07 59.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.059 -0.519 . . . . 4.06 111.115 176.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -54.88 -50.82 67.78 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.002 0.189 . . . . 1.78 111.273 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -55.95 -38.81 70.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.406 -0.361 . . . . 1.35 111.181 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -80.01 -42.13 24.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.027 0.441 . . . . 2.5 110.862 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.05 75.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.927 -0.579 . . . . 1.48 110.784 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.458 HD13 HD12 ' A' ' 151' ' ' ILE . 10.9 mp -67.71 -32.98 74.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 2.23 110.856 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.0 -49.18 77.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.117 0.484 . . . . 3.56 110.23 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 25.6 m -69.62 -40.66 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.461 -0.79 . . . . 1.74 110.665 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 27.4 ttt -63.06 -35.48 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 1.17 110.839 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . 0.454 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -63.6 -45.96 87.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.068 0.461 . . . . 1.26 110.703 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.477 ' HA ' HD11 ' A' ' 187' ' ' LEU . 13.6 mmmm -67.86 -37.59 82.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.846 -0.615 . . . . 3.33 110.926 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.883 ' HB3' HG22 ' A' ' 73' ' ' THR . 67.4 mmtt -70.75 -31.39 68.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.97 -0.559 . . . . 2.71 111.292 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.38 -36.39 81.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.135 0.493 . . . . 1.16 109.898 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 184' ' ' LYS . 81.6 mt -61.44 -34.31 75.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.746 -0.661 . . . . 3.01 110.297 174.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . 0.572 ' HZ1' ' HB3' ' A' ' 188' ' ' LYS . 2.7 mmmp? -72.85 -33.73 66.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 3.19 110.296 177.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 21.0 tp -62.63 -46.7 87.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 1.95 109.94 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.42 -43.59 88.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 2.72 110.034 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.53 -44.43 85.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.781 -0.645 . . . . 2.86 110.806 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' ILE . . . . . 0.623 HD13 HG11 ' A' ' 76' ' ' VAL . 10.8 mt -58.8 -43.33 87.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 1.6 111.841 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 82.1 p -61.97 -46.06 90.93 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.002 0.43 . . . . 2.11 111.301 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.79 -32.59 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.122 -0.49 . . . . 3.84 110.736 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.0 tp -70.09 -49.68 48.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.908 -0.587 . . . . 4.02 110.667 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.431 HD11 ' C ' ' A' ' 196' ' ' LEU . 1.7 pp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 3.89 110.306 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 N--CA 1.46 -0.464 0 CA-C-O 121.231 0.43 . . . . 2.04 112.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.6 mm -75.51 -16.69 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.449 0.642 . . . . 2.8 109.791 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.559 HD21 ' HG ' ' A' ' 49' ' ' LEU . 88.1 mt -52.81 -36.82 59.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.307 -0.86 . . . . 2.67 110.824 175.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.66 -33.95 73.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.921 -0.581 . . . . 1.51 111.285 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -70.37 -39.46 74.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.37 0.605 . . . . 2.85 109.967 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' HE1' HG21 ' A' ' 64' ' ' THR . 40.2 t80 -63.06 -49.69 73.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.22 -0.9 . . . . 1.72 111.095 -177.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.59 -26.87 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.475 -0.33 . . . . 2.43 111.021 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -60.3 -45.55 92.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.182 0.515 . . . . 1.99 109.849 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.504 ' CZ3' ' HE1' ' A' ' 43' ' ' TYR . 46.6 m0 -63.81 -37.46 87.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.601 -0.727 . . . . 1.36 110.781 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.566 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -70.34 -36.83 74.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 2.03 110.578 -178.226 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -62.82 -36.6 83.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.016 0.436 . . . . 3.79 110.045 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.504 ' HE2' ' HA ' ' A' ' 30' ' ' ILE . 68.1 mmm -68.63 -42.56 77.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.882 -0.599 . . . . 2.09 110.789 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.3 -36.78 74.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.768 0.655 . . . . 1.46 112.768 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.4 p -61.11 -50.75 71.99 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.046 0.758 . . . . 1.75 113.046 -171.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -96.8 6.63 48.3 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.088 -0.245 . . . . 2.5 110.823 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.0 m120 65.18 35.63 7.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.913 -0.585 . . . . 2.77 111.528 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.0 -16.99 60.6 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.529 0.681 . . . . 3.7 109.297 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.504 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 6.0 tt -62.83 103.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.023 -0.99 . . . . 1.4 110.677 177.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -70.68 157.01 38.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 2.15 109.858 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -64.24 -30.74 71.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.602 0.239 . . . . 1.51 111.297 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -38.14 72.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.153 0.502 . . . . 1.75 110.773 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.434 ' ND2' HG13 ' A' ' 30' ' ' ILE . 2.4 p-10 -110.34 14.39 22.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.865 -0.607 . . . . 1.45 110.921 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.448 ' HA ' HD12 ' A' ' 30' ' ' ILE . 32.8 t -67.81 -20.57 65.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.59 -0.892 . . . . 1.76 108.59 173.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -96.67 148.0 23.32 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.55 -1.205 . . . . 0.94 109.013 174.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 74.23 -0.5 3.33 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.213 1.005 . . . . 2.77 111.291 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.662 ' HB3' HD11 ' A' ' 71' ' ' ILE . 1.1 m-85 -88.7 82.72 6.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.046 -0.724 . . . . 2.08 109.046 169.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.466 ' HB3' HH22 ' A' ' 75' ' ' ARG . . . -123.82 116.73 23.45 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.92 -0.712 . . . . 1.52 111.769 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.72 -18.87 60.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.035 -0.984 . . . . 2.26 109.808 168.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.45 -38.89 58.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 114.63 -1.168 . . . . 2.48 112.749 -169.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.95 -33.4 64.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.073 0.463 . . . . 2.45 111.054 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.504 ' HE1' ' CZ3' ' A' ' 21' ' ' TRP . 82.7 m-85 -84.28 -29.35 26.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.811 -0.631 . . . . 2.15 111.356 -177.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.456 ' HB3' HG23 ' A' ' 150' ' ' THR . 67.1 m-85 -72.77 -42.04 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.107 0.48 . . . . 2.68 110.191 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -53.59 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.429 -0.805 . . . . 1.84 110.219 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -95.57 93.07 6.95 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.772 -0.825 . . . . 2.94 108.772 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.916 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . 63.3 mtt -71.13 89.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.355 -0.839 . . . . 1.99 111.673 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 m -126.47 -40.28 1.96 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.323 -0.853 . . . . 4.03 109.862 175.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.559 ' HG ' HD21 ' A' ' 15' ' ' LEU . 8.7 tt -83.88 -45.71 12.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 2.71 110.506 -178.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.5 mm? -81.56 -30.21 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 3.85 110.811 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.916 ' HB2' ' HB3' ' A' ' 47' ' ' MET . 87.1 tttt -80.78 124.34 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.166 -0.47 . . . . 3.76 110.276 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -115.61 98.07 6.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.868 -0.605 . . . . 2.55 110.116 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.22 -127.23 8.47 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.852 -0.69 . . . . 1.75 112.378 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.05 -14.88 30.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.86 0.362 . . . . 2.87 110.997 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.4 m -136.19 -173.61 3.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.624 -0.509 . . . . 2.03 109.624 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 50' ' ' LEU . 7.6 p -125.95 131.97 71.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.272 0.558 . . . . 1.26 110.674 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -72.13 108.07 5.13 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.345 -0.843 . . . . 2.33 109.811 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.728 ' HZ ' ' HB3' ' A' ' 157' ' ' TYR . 72.3 m-85 -69.9 -6.85 35.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.481 -0.781 . . . . 1.02 111.423 -174.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.414 ' HA ' ' CE ' ' A' ' 170' ' ' MET . 0.6 OUTLIER -71.7 -58.52 3.41 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.981 -0.748 . . . . 1.97 108.981 -178.272 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -66.88 -32.44 73.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.946 -0.57 . . . . 2.82 110.654 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB1' HD22 ' A' ' 154' ' ' LEU . . . -62.49 -46.5 88.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 1.25 111.193 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.775 ' HB3' ' HD3' ' A' ' 174' ' ' ARG . 40.0 m -68.58 -36.48 78.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.354 . . . . 1.46 110.762 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 45.7 t -61.53 -49.2 77.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.007 -0.542 . . . . 1.79 110.483 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.515 HG21 ' HE1' ' A' ' 18' ' ' PHE . 18.1 p -74.66 -29.41 61.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.761 -0.654 . . . . 1.96 111.367 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.427 ' O ' HG21 ' A' ' 69' ' ' VAL . 1.2 tm? -62.34 -41.98 99.01 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.422 -0.584 . . . . 2.2 109.422 176.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.75 -48.72 80.25 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.097 -0.501 . . . . 0.82 110.268 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.05 -32.35 81.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.61 111.969 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.639 ' HA ' HG22 ' A' ' 71' ' ' ILE . 41.9 t -68.22 -33.15 73.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.596 0.236 . . . . 1.93 110.898 179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 65' ' ' LEU . 88.4 t -65.77 -38.34 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.272 0.558 . . . . 2.13 109.858 175.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -67.91 -46.14 72.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.629 -0.714 . . . . 3.41 110.864 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.662 HD11 ' HB3' ' A' ' 38' ' ' PHE . 14.5 tt -68.8 -33.15 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 1.8 110.637 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.727 ' HH ' ' HB2' ' A' ' 144' ' ' LYS . 81.5 t80 -57.08 -51.58 68.7 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.925 0.393 . . . . 1.14 110.728 176.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.2 p -71.01 -26.7 63.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.404 -0.362 . . . . 1.34 110.975 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 m -63.33 -33.11 74.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.902 0.382 . . . . 1.89 110.18 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.466 HH22 ' HB3' ' A' ' 39' ' ' ALA . 86.9 mtt180 -65.33 -42.46 92.92 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.02 -0.536 . . . . 2.35 110.151 174.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.852 HG13 HD11 ' A' ' 192' ' ' ILE . 23.1 t -58.45 -42.11 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.838 -0.619 . . . . 1.48 109.833 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -66.34 -32.15 73.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.782 -0.644 . . . . 1.87 110.855 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 t -66.44 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 1.71 110.12 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.07 -48.84 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 2.02 109.727 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.4 81.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 1.45 110.888 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.6 m -61.92 -40.14 94.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.23 0.538 . . . . 2.29 109.958 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 2.42 110.094 178.378 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.609 ' HA ' ' HE3' ' A' ' 131' ' ' MET . 47.4 mmtm . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.9 0.381 . . . . 4.91 110.604 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.427 ' O ' HD23 ' A' ' 133' ' ' LEU . 32.3 mmmt -61.87 -41.22 97.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 5.02 111.082 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -54.55 -45.58 73.48 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.863 0.363 . . . . 3.16 110.747 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.609 ' HE3' ' HA ' ' A' ' 128' ' ' LYS . 64.1 mtm -60.79 -47.19 87.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.878 -0.601 . . . . 3.96 110.865 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 m -66.77 -36.1 81.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.425 -0.352 . . . . 1.99 111.074 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 129' ' ' LYS . 3.6 mm? -60.25 -48.47 81.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.41 . . . . 2.57 110.662 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -68.57 -38.67 80.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.078 -0.51 . . . . 4.02 110.575 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -60.43 -48.97 79.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.806 -0.634 . . . . 1.92 111.118 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' MET . . . . . 0.548 ' O ' HG23 ' A' ' 140' ' ' VAL . 61.4 mtm -60.13 -47.52 85.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.644 -0.253 . . . . 1.63 110.612 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 74.7 mmm -57.06 -43.68 82.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 1.97 111.066 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -69.25 -27.05 65.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.993 0.425 . . . . 3.84 110.451 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 39.6 m -73.31 -36.75 66.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.185 -0.461 . . . . 1.61 110.282 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 136' ' ' MET . 84.9 t -60.45 -51.88 67.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.946 -0.57 . . . . 1.79 110.741 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 8.5 mp -67.14 -29.5 69.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 2.05 111.604 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -61.72 -47.95 82.93 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.317 0.579 . . . . 3.34 110.015 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . 0.617 ' HA ' ' HD2' ' A' ' 146' ' ' LYS . 5.8 m-20 -70.46 -29.42 65.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 1.64 110.376 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.727 ' HB2' ' HH ' ' A' ' 72' ' ' TYR . 53.4 tttm -55.83 -46.5 78.12 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.317 -0.401 . . . . 2.41 110.247 173.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.563 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 29.5 m170 -56.03 -46.14 78.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.894 -0.593 . . . . 0.97 109.785 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.617 ' HD2' ' HA ' ' A' ' 143' ' ' ASP . 90.2 mttt -57.75 -43.84 85.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.627 -0.715 . . . . 3.26 111.072 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 143' ' ' ASP . 69.5 mt -58.9 -48.77 85.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 1.32 110.462 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.74 -29.23 69.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.763 -0.653 . . . . 2.39 111.036 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.563 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 43.5 mt-10 -63.3 -48.75 76.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.504 -0.554 . . . . 2.47 109.504 172.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' THR . . . . . 0.456 HG23 ' HB3' ' A' ' 44' ' ' PHE . 34.0 m -59.39 -44.26 92.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.233 -0.894 . . . . 1.44 110.835 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 147' ' ' ILE . 83.9 mt -56.31 -47.67 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.317 -0.401 . . . . 1.68 110.601 177.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.67 97.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.065 -0.516 . . . . 1.24 110.946 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 35.8 m -61.34 -44.21 97.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.228 -0.442 . . . . 1.27 111.02 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.473 HD22 ' HB1' ' A' ' 61' ' ' ALA . 8.3 mp -67.08 -39.5 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 1.97 111.043 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.445 ' HA ' ' HE2' ' A' ' 171' ' ' PHE . 21.5 t70 -61.38 -49.88 75.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.193 0.52 . . . . 0.78 110.655 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.553 ' O ' ' HD3' ' A' ' 160' ' ' LYS . 35.1 mt-10 -70.2 -26.69 63.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.602 . . . . 2.52 110.824 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.728 ' HB3' ' HZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -61.59 -38.64 88.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.838 0.351 . . . . 1.28 110.122 176.357 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.467 ' HE3' ' HB ' ' A' ' 168' ' ' THR . 87.2 tttt -70.04 -35.24 74.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.545 . . . . 2.51 110.161 176.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -66.27 -38.25 87.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 4.22 109.95 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.553 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 5.1 mptp? -64.57 -45.79 85.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.842 -0.617 . . . . 3.38 110.177 173.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -54.55 114.63 1.75 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.496 -0.775 . . . . 1.97 111.362 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 8.3 m -107.64 2.26 23.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.802 -0.635 . . . . 4.06 110.345 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -158.98 86.73 0.12 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.951 -0.642 . . . . 3.39 112.155 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 178.67 114.37 0.41 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.037 -0.601 . . . . 3.62 111.642 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 9.5 m -104.21 -32.69 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.041 0.448 . . . . 3.61 110.803 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -70.68 111.73 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 4.07 111.362 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 100.27 -38.7 3.01 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.017 -0.611 . . . . 1.78 112.538 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' THR . . . . . 0.467 ' HB ' ' HE3' ' A' ' 158' ' ' LYS . 33.7 p -65.43 -43.08 91.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.772 0.32 . . . . 2.0 111.673 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -69.06 -41.43 77.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.509 -0.314 . . . . 4.19 110.826 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' MET . . . . . 0.427 ' HE1' ' HB2' ' A' ' 62' ' ' SER . 13.6 tmm? -63.35 -43.07 98.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.53 109.932 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.6 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 48.8 t80 -56.12 -43.77 78.5 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.601 -0.727 . . . . 0.99 112.071 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.83 -46.74 70.96 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.818 -0.353 . . . . 2.38 111.135 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -67.9 -34.47 76.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 2.29 110.871 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.775 ' HD3' ' HB3' ' A' ' 62' ' ' SER . 67.4 ttt180 -75.85 -30.04 58.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.741 0.305 . . . . 4.06 110.892 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.32 -49.02 78.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 1.78 110.711 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 180' ' ' LYS . 10.5 pt-20 -61.14 -33.75 73.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.4 -0.364 . . . . 1.35 110.434 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -69.85 -43.8 71.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.27 -0.423 . . . . 2.5 110.362 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.17 81.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 1.48 111.156 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.54 -31.38 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 2.23 110.776 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 176' ' ' GLU . 21.6 ttmm -66.67 -40.46 88.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.257 0.551 . . . . 3.56 109.811 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 51.9 m -70.59 -41.26 72.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 1.74 110.307 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.5 ttt -61.65 -32.88 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.609 -0.723 . . . . 1.17 110.805 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.69 84.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 1.26 110.997 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.4 ' NZ ' ' HG2' ' A' ' 180' ' ' LYS . 61.9 mttp -71.18 -45.28 63.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 3.33 110.475 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -70.17 -19.6 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.001 -0.545 . . . . 2.71 111.062 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.16 -33.54 76.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.174 0.511 . . . . 1.16 109.993 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.76 -37.31 79.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 3.01 109.703 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 191' ' ' GLU . 26.0 tptp -65.6 -40.0 92.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.51 -0.768 . . . . 3.19 109.742 176.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.57 ' HA ' HG11 ' A' ' 76' ' ' VAL . 24.4 tp -59.86 -50.78 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.576 -0.738 . . . . 1.95 110.386 174.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -59.71 -33.47 71.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 2.72 111.267 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 188' ' ' LYS . 33.5 tt0 -57.11 -53.86 53.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 2.86 110.876 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' ILE . . . . . 0.852 HD11 HG13 ' A' ' 76' ' ' VAL . 63.5 mt -68.58 -38.62 79.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 1.6 110.977 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 11.8 m -59.13 -46.29 88.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.008 0.433 . . . . 2.11 110.57 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.33 -41.89 93.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.789 -0.642 . . . . 3.84 110.197 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 48.2 tp -55.81 -52.58 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.668 -0.696 . . . . 4.02 110.647 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 60.2 tp . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 3.89 111.136 -177.583 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo . . . . . 0 N--CA 1.459 -0.551 0 CA-C-O 121.161 0.4 . . . . 2.04 111.543 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.31 -37.82 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.726 -0.67 . . . . 2.8 110.124 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.507 HD12 ' N ' ' A' ' 16' ' ' ALA . 1.4 pp -64.81 -25.33 67.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.69 -0.686 . . . . 2.67 111.564 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.507 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -78.73 -42.52 28.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 1.51 110.327 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -62.85 -41.01 99.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 2.85 110.087 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.461 ' O ' ' HG2' ' A' ' 22' ' ' MET . 44.6 t80 -57.9 -39.8 78.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.463 -0.79 . . . . 1.72 111.067 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 7.8 mm-40 -60.82 -42.27 97.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 2.43 111.297 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -58.49 -47.26 84.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.015 -0.539 . . . . 1.99 109.789 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -61.09 -44.01 98.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.299 -0.864 . . . . 1.36 111.049 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 26.9 mmt -64.44 -50.26 68.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 2.03 111.465 -176.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -65.33 -39.32 92.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.901 0.382 . . . . 3.79 110.179 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.796 ' HA ' ' HB3' ' A' ' 29' ' ' LYS . 42.0 ttm -60.15 -45.05 94.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.515 . . . . 2.09 110.856 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.26 -51.55 36.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.349 -0.387 . . . . 1.46 111.655 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.3 p -66.57 -44.92 80.99 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.434 0.531 . . . . 1.75 112.434 -173.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.57 1.82 24.56 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.318 0.58 . . . . 2.5 110.739 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 m120 65.4 21.4 11.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.65 -0.705 . . . . 2.77 110.129 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.796 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 81.2 tttt -63.85 -31.97 73.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.993 -1.003 . . . . 3.7 110.191 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.755 ' HB ' ' HG2' ' A' ' 24' ' ' MET . 4.2 tt -60.56 100.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.687 0.756 . . . . 1.4 111.439 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.417 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 29.5 m-80 -75.01 157.37 35.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.731 -0.84 . . . . 2.15 108.731 174.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.1 77.34 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 111.619 0.229 . . . . 1.51 111.619 -174.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.81 -33.89 73.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.979 0.418 . . . . 1.75 111.131 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 2.1 p-10 -110.48 14.28 22.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 1.45 111.062 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 21.8 t -70.61 -21.74 62.62 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.644 -1.243 . . . . 1.76 107.644 171.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.406 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 62.9 m95 -79.18 152.54 30.62 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 114.306 -1.315 . . . . 0.94 109.824 175.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 90.0 m-20 69.94 1.35 3.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.018 -0.992 . . . . 2.77 111.698 -175.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.803 ' HB3' HD13 ' A' ' 71' ' ' ILE . 10.6 m-85 -106.35 96.94 6.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.018 0.437 . . . . 2.08 111.073 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.96 121.54 19.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.062 -0.517 . . . . 1.52 109.981 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD23 HG21 ' A' ' 71' ' ' ILE . 4.0 mm? -69.47 -16.55 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.375 -0.375 . . . . 2.26 111.853 -175.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 1.054 HG21 ' HB3' ' A' ' 146' ' ' LYS . 40.8 mm -57.03 -29.82 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 2.48 111.217 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.67 -35.61 72.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.921 0.391 . . . . 2.45 110.342 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -75.28 -32.05 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 2.15 110.512 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.71 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 58.6 m-85 -68.98 -41.13 78.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.004 -0.544 . . . . 2.68 111.118 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -75.8 -23.58 55.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.175 0.512 . . . . 1.84 110.31 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.64 -60.65 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.53 -0.759 . . . . 2.94 110.913 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.649 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 57.3 mtt 59.2 28.69 18.08 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.711 0.634 . . . . 1.99 112.711 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -97.38 -34.05 11.19 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.699 -0.852 . . . . 4.03 108.699 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 tp -89.28 -45.93 9.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.319 -0.855 . . . . 2.71 110.921 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.68 -34.49 52.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.42 . . . . 3.85 111.383 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.668 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.8 ttpt -99.54 131.91 45.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.747 -0.464 . . . . 3.76 109.747 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -113.28 106.1 14.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.308 0.575 . . . . 2.55 109.919 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.83 -107.54 3.15 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.524 -0.762 . . . . 1.75 111.973 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -121.06 0.84 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.07 0.462 . . . . 2.87 110.552 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -125.16 135.11 52.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.746 -0.465 . . . . 2.03 109.746 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.668 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 12.0 p -95.57 131.56 42.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.319 0.58 . . . . 1.26 109.859 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.548 ' OD1' ' HB3' ' A' ' 59' ' ' GLN . 28.7 t-20 -77.34 101.93 6.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.43 -0.805 . . . . 2.33 109.246 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.673 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 88.8 m-85 -67.51 -9.65 44.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.535 -0.757 . . . . 1.02 111.204 -175.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.548 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 7.1 tt0 -71.43 -56.14 6.53 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.839 -0.8 . . . . 1.97 108.839 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.489 ' HZ2' ' HB2' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -70.77 -28.06 64.39 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.023 -0.989 . . . . 2.82 109.79 177.361 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.673 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -65.36 -38.07 88.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 1.25 110.547 175.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.4 m -62.37 -44.35 96.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.869 0.366 . . . . 1.46 110.375 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.8 t -61.0 -44.14 97.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 1.79 110.513 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.1 m -68.25 -41.47 81.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 1.96 111.042 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.6 tp -66.18 -43.65 86.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 2.2 110.77 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.04 -47.72 84.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.148 -0.478 . . . . 0.82 110.412 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.59 -33.21 83.83 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.61 111.954 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.54 ' HA ' HG23 ' A' ' 71' ' ' ILE . 49.6 t -63.61 -42.2 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.432 0.158 . . . . 1.93 110.746 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.76 -41.92 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.064 0.459 . . . . 2.13 110.082 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.42 -47.61 72.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 3.41 111.388 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.803 HD13 ' HB3' ' A' ' 38' ' ' PHE . 18.2 tt -71.25 -34.26 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.753 0.311 . . . . 1.8 111.1 -176.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.461 ' OH ' ' HB2' ' A' ' 144' ' ' LYS . 71.3 t80 -59.74 -46.38 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.044 0.45 . . . . 1.14 110.415 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.438 HG23 ' HD2' ' A' ' 185' ' ' LYS . 6.5 p -75.37 -25.32 57.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.721 -0.672 . . . . 1.34 111.598 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.0 m -64.79 -34.99 79.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.136 0.493 . . . . 1.89 109.848 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 71' ' ' ILE . 65.4 mtp180 -65.51 -42.38 92.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.817 -0.629 . . . . 2.35 109.533 174.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.613 HG21 HG13 ' A' ' 140' ' ' VAL . 62.0 t -57.86 -41.3 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.352 -0.84 . . . . 1.48 110.457 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.1 -31.96 71.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.984 -0.553 . . . . 1.87 110.452 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.8 t -66.37 -48.94 68.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.08 -0.509 . . . . 1.71 111.12 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.406 ' HB ' ' CH2' ' A' ' 36' ' ' TRP . 5.6 p -67.44 -34.05 66.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 2.02 110.834 -178.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.526 ' HB3' ' CD1' ' A' ' 192' ' ' ILE . . . -63.63 -44.96 92.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 1.45 110.797 176.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 m -61.66 -40.62 95.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 2.29 109.989 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.402 ' HB3' HD12 ' A' ' 133' ' ' LEU . 21.5 tp10 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.511 -0.768 . . . . 2.42 110.214 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.788 0.328 . . . . 4.91 110.273 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -71.51 -27.3 63.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 5.02 111.287 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -71.41 -32.18 68.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.485 -0.325 . . . . 3.16 111.44 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 88.4 mmm -55.95 -38.89 70.95 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.221 0.452 . . . . 3.96 112.221 -176.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.6 p -64.33 -40.85 96.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.106 0.479 . . . . 1.99 110.408 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.402 HD12 ' HB3' ' A' ' 82' ' ' GLU . 4.5 mm? -60.2 -51.2 70.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.668 -0.696 . . . . 2.57 110.975 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -62.59 -39.96 95.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.083 -0.508 . . . . 4.02 110.168 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -61.73 -43.77 98.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 1.92 110.797 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' MET . . . . . 0.472 ' O ' HG21 ' A' ' 140' ' ' VAL . 73.9 mtm -65.99 -39.68 90.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.76 -0.2 . . . . 1.63 110.693 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 82.7 mmm -59.54 -44.87 93.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.01 0.433 . . . . 1.97 110.528 174.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -63.95 -34.98 79.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.627 . . . . 3.84 110.464 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 52.7 m -65.9 -44.27 85.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.732 -0.667 . . . . 1.61 110.446 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.613 HG13 HG21 ' A' ' 76' ' ' VAL . 79.6 t -57.04 -47.9 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 1.79 110.75 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.501 HD23 HD22 ' A' ' 189' ' ' LEU . 54.3 mt -67.56 -33.45 75.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.281 -0.418 . . . . 2.05 110.702 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.724 ' HG2' ' HE3' ' A' ' 146' ' ' LYS . 40.6 ttmt -60.57 -45.9 92.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 3.34 109.901 175.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . 0.885 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 63.6 m-20 -66.76 -28.43 68.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 1.64 111.428 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.461 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 39.9 ttmt -61.46 -36.7 81.15 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.562 -0.533 . . . . 2.41 109.562 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.46 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 35.4 m80 -63.97 -36.78 85.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.97 110.418 175.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 1.054 ' HB3' HG21 ' A' ' 41' ' ' ILE . 1.4 mptm? -62.24 -35.84 80.16 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.986 0.422 . . . . 3.26 110.46 174.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.515 HG12 HD12 ' A' ' 41' ' ' ILE . 69.8 mt -63.02 -43.06 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 1.32 110.554 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.95 -43.91 98.02 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.308 -0.405 . . . . 2.39 110.458 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 38.2 mt-10 -58.61 -39.11 79.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 121.252 0.548 . . . . 2.47 110.104 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' THR . . . . . 0.425 HG23 ' HB3' ' A' ' 44' ' ' PHE . 61.3 m -68.17 -52.83 30.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.411 -0.813 . . . . 1.44 111.352 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 51.0 mm -58.9 -42.95 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.403 . . . . 1.68 110.382 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 156' ' ' GLU . . . -59.71 -53.52 57.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.758 -0.655 . . . . 1.24 110.888 177.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 56.7 m -61.8 -43.75 98.22 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.489 -0.323 . . . . 1.27 111.6 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 7.9 mp -62.94 -36.9 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 1.97 111.023 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.517 ' HA ' ' HD3' ' A' ' 158' ' ' LYS . 18.2 t70 -74.7 -25.12 58.93 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.826 -0.349 . . . . 0.78 110.367 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 152' ' ' ALA . 24.6 mm-40 -68.82 -31.15 69.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 2.52 110.402 175.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -63.3 -40.09 96.38 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.675 -0.491 . . . . 1.28 109.675 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.64 ' HD2' ' HD2' ' A' ' 171' ' ' PHE . 8.1 mtpm? -64.36 -35.19 80.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.685 -0.689 . . . . 2.51 110.106 174.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -65.64 -49.63 67.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.274 -0.876 . . . . 4.22 110.928 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -75.75 -34.74 60.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 3.38 111.35 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 168' ' ' THR . . . -129.24 99.12 5.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.454 -0.339 . . . . 1.97 110.896 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 5.4 p -86.46 -61.72 1.68 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.017 0.436 . . . . 4.06 110.535 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -78.39 118.9 5.02 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.91 -0.662 . . . . 3.39 111.779 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 173.38 -173.36 45.7 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.757 -0.735 . . . . 3.62 111.998 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 43.1 m -106.11 11.52 31.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.828 0.346 . . . . 3.61 110.934 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 4.07 111.015 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 103.7 28.77 5.84 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.972 -0.633 . . . . 1.78 111.569 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 161' ' ' ALA . 18.9 p -56.36 -49.64 73.82 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.906 0.483 . . . . 2.0 112.274 -176.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -71.85 -31.33 66.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.146 0.498 . . . . 4.19 110.745 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 47.2 ttp -71.04 -34.66 71.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.062 -0.517 . . . . 1.53 110.024 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.659 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 83.4 t80 -67.53 -27.92 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.99 110.6 176.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.13 -46.6 80.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.075 0.464 . . . . 2.38 110.035 176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.3 -39.15 89.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 2.29 110.501 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -69.68 -37.78 76.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.73 -0.668 . . . . 4.06 110.596 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -55.76 -54.95 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 1.78 111.04 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.37 -37.3 85.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 1.35 111.671 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.83 -41.69 71.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 2.5 110.989 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -66.66 -49.67 65.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 1.48 111.175 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.83 -31.75 72.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.64 -0.254 . . . . 2.23 111.065 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -69.5 -45.71 68.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.477 -0.329 . . . . 3.56 110.896 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' THR . . . . . 0.438 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 7.2 t -73.31 -28.9 62.35 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.072 0.463 . . . . 1.74 109.955 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 25.3 ttt -65.47 -47.98 74.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.042 -0.526 . . . . 1.17 110.124 175.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -66.6 -29.94 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.045 -0.525 . . . . 1.26 111.701 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 181' ' ' THR . 6.6 pttp -72.76 -44.55 61.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.458 0.647 . . . . 3.33 109.795 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.438 ' HD2' HG23 ' A' ' 73' ' ' THR . 20.4 ttmm -78.24 -8.47 58.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.361 -0.836 . . . . 2.71 110.519 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.44 -27.71 65.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.43 -0.804 . . . . 1.16 110.752 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 91.8 mt -53.04 -45.79 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 3.01 111.635 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . 0.536 ' O ' HG13 ' A' ' 192' ' ' ILE . 21.9 ptmt -68.9 -28.92 67.12 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 121.036 -0.265 . . . . 3.19 110.751 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.501 HD22 HD23 ' A' ' 141' ' ' LEU . 7.1 tt -65.61 -50.26 65.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.402 -0.592 . . . . 1.95 109.402 177.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -19.24 62.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.719 -0.673 . . . . 2.72 110.724 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 5.9 tp10 -65.81 -45.5 82.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.139 -0.689 . . . . 2.86 109.139 174.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 188' ' ' LYS . 58.8 mt -59.3 -51.31 74.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.608 -0.724 . . . . 1.6 110.971 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 24.6 p -58.97 -37.97 78.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.931 0.396 . . . . 2.11 110.851 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.01 -52.55 34.36 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.899 -0.591 . . . . 3.84 110.497 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 74.0 mt -61.72 -43.15 99.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.499 -0.319 . . . . 4.02 111.457 -176.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 51.3 tp . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 120.864 0.364 . . . . 3.89 110.537 -179.671 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo . . . . . 0 N--CA 1.465 -0.204 0 CA-C-O 121.138 0.391 . . . . 2.04 111.699 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.482 HG22 ' CE2' ' A' ' 43' ' ' TYR . 21.6 mt -65.05 -37.65 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.663 -0.699 . . . . 2.8 111.256 -176.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 80.4 mt -61.45 -47.3 86.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.888 0.375 . . . . 2.67 110.151 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.21 83.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.9 -0.591 . . . . 1.51 111.115 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.78 ' ND2' ' HH ' ' A' ' 43' ' ' TYR . 6.8 t30 -61.2 -40.12 92.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 2.85 110.909 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.479 ' O ' ' HG2' ' A' ' 22' ' ' MET . 83.7 t80 -65.39 -48.33 73.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.055 -0.52 . . . . 1.72 110.449 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 44.7 mt-10 -60.79 -36.87 80.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.276 -0.42 . . . . 2.43 110.748 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.74 -47.35 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 1.99 110.367 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' A' ' 38' ' ' PHE . 45.0 m0 -65.43 -38.91 91.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.028 -0.533 . . . . 1.36 111.016 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.517 ' HE3' ' HA ' ' A' ' 22' ' ' MET . 28.9 mmt -61.15 -43.48 98.82 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.82 -0.437 . . . . 2.03 109.82 177.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.75 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.21 -39.28 89.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.645 -0.707 . . . . 3.79 110.235 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 80.0 mmm -58.38 -44.19 88.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.541 . . . . 2.09 110.806 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.64 72.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 1.46 111.733 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 p -71.99 -36.86 69.9 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.801 0.297 . . . . 1.75 111.801 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.89 -11.41 59.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.64 0.257 . . . . 2.5 110.524 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.1 t30 60.66 40.3 16.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.934 0.874 . . . . 2.77 109.903 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -83.56 -4.42 58.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.494 -0.776 . . . . 3.7 109.931 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.637 ' HA ' HD22 ' A' ' 34' ' ' ASN . 2.8 tt -78.22 83.63 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.917 0.865 . . . . 1.4 110.442 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -73.23 160.04 32.53 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.643 -0.873 . . . . 2.15 108.643 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.54 -14.05 62.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.107 0.41 . . . . 1.51 112.107 -173.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.35 -34.47 55.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.011 0.434 . . . . 1.75 110.604 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.637 HD22 ' HA ' ' A' ' 30' ' ' ILE . 1.9 p-10 -111.83 13.18 20.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 1.45 111.714 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.441 ' HA ' HG13 ' A' ' 30' ' ' ILE . 6.5 p -72.06 -20.99 61.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.566 0.698 . . . . 1.76 109.23 174.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.449 ' CZ2' ' HB2' ' A' ' 78' ' ' SER . 19.2 m95 -78.49 177.38 8.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.983 -1.008 . . . . 0.94 109.242 171.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.1 0.4 1.25 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.874 1.064 . . . . 2.77 113.874 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.489 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 5.0 p90 -150.11 132.88 15.96 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.682 -0.636 . . . . 2.08 110.314 166.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.575 ' HB3' HG23 ' A' ' 41' ' ' ILE . . . -133.78 123.26 24.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.832 -0.622 . . . . 1.52 110.808 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 mt -69.31 -23.24 63.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.253 -0.431 . . . . 2.26 110.567 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 39' ' ' ALA . 10.0 tp -59.27 -29.15 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.662 -0.699 . . . . 2.48 111.395 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.74 -42.51 93.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 2.45 110.637 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.78 ' HH ' ' ND2' ' A' ' 17' ' ' ASN . 94.6 m-85 -84.43 -28.14 27.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.917 -0.583 . . . . 2.15 111.168 177.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CE2' ' HB ' ' A' ' 150' ' ' THR . 21.5 t80 -67.64 -32.23 72.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.866 -0.606 . . . . 2.68 109.849 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -64.52 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.76 -0.655 . . . . 1.84 111.741 -177.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -103.04 116.69 33.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.809 0.814 . . . . 2.94 109.56 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.547 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 67.9 mtm -90.25 81.01 6.13 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.615 -0.721 . . . . 1.99 111.16 -173.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 t -93.09 -28.92 16.05 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.44 -0.578 . . . . 4.03 109.44 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tt -89.75 -45.41 9.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 2.71 111.688 -175.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.39 -3.67 43.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 3.85 111.875 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 47' ' ' MET . 29.0 ttpp -109.64 132.67 53.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.998 -0.371 . . . . 3.76 109.998 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -107.63 106.62 17.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.332 -0.618 . . . . 2.55 109.332 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.44 -105.75 1.73 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.567 -0.825 . . . . 1.75 111.676 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -121.44 15.09 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.865 0.364 . . . . 2.87 110.423 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 m -130.96 130.62 43.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.07 -0.514 . . . . 2.03 109.646 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.527 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 1.6 p -95.05 132.6 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-O 120.896 0.379 . . . . 1.26 110.345 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -63.43 102.37 0.41 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.344 -0.984 . . . . 2.33 108.344 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.825 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 71.7 m-85 -67.66 -8.35 34.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.791 0.329 . . . . 1.02 111.606 -174.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -70.39 -46.31 64.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.478 -0.934 . . . . 1.97 108.478 171.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -76.11 -33.98 59.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.095 -0.957 . . . . 2.82 110.186 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.67 ' HB2' ' HA ' ' A' ' 58' ' ' PHE . . . -55.9 -44.42 78.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.187 0.517 . . . . 1.25 110.616 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.655 ' HB3' ' HG2' ' A' ' 174' ' ' ARG . 45.6 m -68.92 -44.37 73.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 1.46 111.122 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 84.8 m -66.5 -37.25 84.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.475 -0.33 . . . . 1.79 111.751 -177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -70.12 -43.6 70.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.788 -0.187 . . . . 1.96 110.838 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.0 -46.45 90.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.019 0.438 . . . . 2.2 110.309 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.42 -40.02 92.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.564 -0.744 . . . . 0.82 110.744 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.55 -39.54 86.71 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.92 -0.657 . . . . 0.61 112.198 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' HA ' HG23 ' A' ' 71' ' ' ILE . 86.3 m -63.59 -42.31 98.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.588 0.218 . . . . 1.93 111.588 -178.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.75 -36.63 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.359 -0.537 . . . . 2.13 110.568 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.67 -50.81 63.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.467 -0.333 . . . . 3.41 111.393 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.545 HG13 ' CD1' ' A' ' 30' ' ' ILE . 12.6 tt -68.35 -34.21 64.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.683 -0.235 . . . . 1.8 110.709 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 144' ' ' LYS . 87.3 t80 -55.35 -56.46 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 1.14 110.625 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 185' ' ' LYS . 17.5 p -70.62 -25.79 63.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.302 -0.408 . . . . 1.34 111.613 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.1 t -63.44 -40.16 96.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.537 0.684 . . . . 1.89 109.342 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.64 ' O ' HG22 ' A' ' 79' ' ' VAL . 40.3 mtp180 -67.9 -30.34 69.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.407 -0.815 . . . . 2.35 109.972 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 72' ' ' TYR . 97.8 t -66.45 -37.11 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.273 -0.421 . . . . 1.48 110.485 175.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.23 -38.27 76.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.148 0.499 . . . . 1.87 109.915 174.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.449 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 7.8 m -62.27 -47.93 82.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.679 -0.691 . . . . 1.71 110.536 173.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.656 ' HA ' ' HB2' ' A' ' 82' ' ' GLU . 3.5 t -62.43 -25.09 36.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-N 115.902 -0.59 . . . . 2.02 110.944 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.558 ' HA ' HG13 ' A' ' 192' ' ' ILE . . . -57.53 -36.86 72.14 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.678 0.275 . . . . 1.45 111.368 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -76.53 -41.48 46.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.124 0.964 . . . . 2.29 109.672 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.705 ' HB3' HD11 ' A' ' 133' ' ' LEU . 7.5 mm-40 . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 114.192 -1.367 . . . . 2.42 111.886 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.234 0.54 . . . . 4.91 111.909 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -62.05 -27.99 69.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.381 -0.827 . . . . 5.02 112.837 -171.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.14 -36.76 66.13 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.907 0.706 . . . . 3.16 112.907 -171.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.47 -26.35 68.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.737 0.643 . . . . 3.96 112.737 -171.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -63.52 -33.55 75.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.166 0.508 . . . . 1.99 109.756 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 82' ' ' GLU . 2.0 mm? -69.51 -33.4 72.77 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 113.434 0.901 . . . . 2.57 113.434 -174.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.21 -45.28 79.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.559 0.695 . . . . 4.02 109.195 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -68.72 -47.72 65.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.918 -1.037 . . . . 1.92 111.224 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' MET . . . . . 0.442 ' O ' ' HB ' ' A' ' 139' ' ' THR . 38.2 ttp -70.11 -38.21 75.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.335 0.494 . . . . 1.63 112.335 -172.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -43.39 88.51 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.181 -0.674 . . . . 1.97 109.181 176.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.59 -34.94 73.38 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.624 -0.51 . . . . 3.84 109.624 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 143' ' ' ASP . 91.5 m -61.77 -46.76 88.2 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 115.885 -0.598 . . . . 1.61 110.567 174.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 136' ' ' MET . 63.1 t -63.59 -49.51 82.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.55 -0.296 . . . . 1.79 111.597 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.74 -44.99 95.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.959 0.409 . . . . 2.05 110.797 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.41 ' HG3' ' HD3' ' A' ' 146' ' ' LYS . 22.9 tptm -66.75 -28.51 68.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.026 -0.534 . . . . 3.34 110.138 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . 0.512 ' O ' HG13 ' A' ' 147' ' ' ILE . 0.8 OUTLIER -62.69 -41.27 99.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.82 -0.627 . . . . 1.64 109.813 178.687 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 87.0 tttt -60.38 -44.38 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.46 -0.791 . . . . 2.41 110.112 176.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -66.42 -33.02 74.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.97 110.495 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.41 ' HD3' ' HG3' ' A' ' 142' ' ' LYS . 4.5 mptp? -65.61 -41.87 92.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.897 -0.592 . . . . 3.26 110.599 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.539 ' O ' HG13 ' A' ' 151' ' ' ILE . 72.5 mt -58.3 -44.18 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 1.32 109.756 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 144' ' ' LYS . 35.7 mt-10 -61.48 -32.31 72.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.851 -0.613 . . . . 2.39 111.545 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.94 -52.37 65.3 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.069 0.462 . . . . 2.47 110.221 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' THR . . . . . 0.483 ' HB ' ' CE2' ' A' ' 44' ' ' PHE . 61.8 m -66.24 -37.83 86.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.84 -0.618 . . . . 1.44 111.321 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 147' ' ' ILE . 80.9 mt -55.44 -45.5 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.843 0.354 . . . . 1.68 110.203 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.5 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.815 -0.63 . . . . 1.24 110.764 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 156' ' ' GLU . 55.5 m -60.1 -41.03 91.68 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.241 -0.436 . . . . 1.27 111.523 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.512 HD12 ' SD ' ' A' ' 47' ' ' MET . 4.8 mp -65.22 -42.0 93.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.699 0.285 . . . . 1.97 111.343 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -68.53 -30.71 69.57 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.574 -0.528 . . . . 0.78 109.574 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 153' ' ' THR . 5.5 mm-40 -59.61 -43.93 93.59 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.744 -0.662 . . . . 2.52 110.731 174.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.414 ' HB3' ' HZ ' ' A' ' 58' ' ' PHE . 63.2 m-85 -58.47 -44.69 89.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.047 0.451 . . . . 1.28 110.338 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.593 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 28.0 ttpp -67.01 -27.48 67.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 2.51 111.471 -177.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -87.88 -37.35 16.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.887 0.375 . . . . 4.22 110.807 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 14.2 mptt -67.55 -46.71 71.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.156 -0.475 . . . . 3.38 110.749 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.18 122.44 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.001 0.429 . . . . 1.97 110.74 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 19.5 m -75.36 -37.49 60.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 4.06 111.26 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -99.25 -46.31 2.04 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.863 -0.684 . . . . 3.39 112.037 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 70.43 63.19 3.33 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.033 -0.603 . . . . 3.62 112.885 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 25.7 t -81.35 -7.03 59.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.895 0.379 . . . . 3.61 110.769 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -84.65 5.34 28.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.486 -0.324 . . . . 4.07 111.698 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 94.92 39.21 4.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.663 -0.78 . . . . 1.78 112.589 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' THR . . . . . 0.593 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 9.3 p -62.49 -40.98 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.784 0.325 . . . . 2.0 111.557 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -64.86 -44.06 90.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 4.19 110.787 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -62.11 -47.49 84.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.931 -0.577 . . . . 1.53 109.965 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.825 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 71.0 t80 -60.75 -40.49 92.62 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.99 111.08 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.584 ' HB2' ' HD2' ' A' ' 158' ' ' LYS . 36.5 tt0 -61.25 -43.88 98.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.809 0.338 . . . . 2.38 110.801 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.56 -35.3 78.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.932 -0.577 . . . . 2.29 110.622 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.655 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 8.3 tpt180 -75.07 -39.99 60.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.356 -0.384 . . . . 4.06 110.819 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.553 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 32.9 ttpt -57.71 -53.86 53.43 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.406 -0.361 . . . . 1.78 111.062 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 6.7 pt-20 -53.14 -44.37 67.69 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.306 -0.407 . . . . 1.35 111.167 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -74.63 -35.19 62.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.664 0.269 . . . . 2.5 111.195 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.19 97.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.444 -0.344 . . . . 1.48 110.349 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 83.4 mt -65.01 -40.94 95.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.543 . . . . 2.23 110.23 177.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 176' ' ' GLU . 66.7 mttm -61.42 -47.57 85.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 3.56 110.516 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' THR . . . . . 0.514 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 49.9 m -60.83 -44.1 97.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 1.74 110.746 177.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.4 ttt -60.9 -40.27 92.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 1.17 110.67 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.99 76.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 1.26 111.305 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.551 ' HB3' ' HZ3' ' A' ' 184' ' ' LYS . 8.5 mtpm? -68.39 -48.2 65.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.966 0.412 . . . . 3.33 110.72 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.576 ' HB2' HG23 ' A' ' 73' ' ' THR . 13.9 ptpt -77.7 -7.49 56.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.349 -0.387 . . . . 2.71 111.702 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -66.19 -33.14 75.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.37 -0.377 . . . . 1.16 110.951 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 184' ' ' LYS . 4.7 pp -65.15 -23.49 67.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 3.01 111.043 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -65.51 -44.53 86.69 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.722 -0.473 . . . . 3.19 109.722 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.94 -44.22 94.49 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.785 -0.643 . . . . 1.95 109.912 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -57.55 -41.73 81.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.508 -0.769 . . . . 2.72 110.587 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.94 -40.95 97.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.033 -0.531 . . . . 2.86 111.264 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' ILE . . . . . 0.558 HG13 ' HA ' ' A' ' 80' ' ' ALA . 1.7 mp -56.99 -51.85 63.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.844 0.354 . . . . 1.6 110.359 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 196' ' ' LEU . 16.3 p -70.55 -29.29 65.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 2.11 111.536 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.25 -53.05 62.34 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.345 -0.388 . . . . 3.84 110.809 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.57 -36.75 74.44 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.912 -0.586 . . . . 4.02 110.627 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' A' ' 193' ' ' THR . 51.0 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.232 -0.894 . . . . 3.89 111.561 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo . . . . . 0 C--O 1.235 0.348 0 CA-C-O 120.606 0.169 . . . . 2.04 111.767 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -63.21 -26.13 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.307 -0.406 . . . . 2.8 110.479 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.89 -44.89 67.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.469 -0.332 . . . . 2.67 111.012 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.32 -24.7 59.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 1.51 111.134 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -81.92 -42.76 19.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.066 -0.515 . . . . 2.85 110.143 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -66.54 -38.84 88.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 1.72 111.12 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.09 -27.91 69.09 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.872 0.368 . . . . 2.43 110.718 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.81 -36.91 76.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.514 -0.55 . . . . 1.99 109.514 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.422 ' HZ3' ' O ' ' A' ' 39' ' ' ALA . 21.7 m0 -66.23 -38.58 88.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.638 -0.71 . . . . 1.36 110.307 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.543 ' N ' ' HE2' ' A' ' 22' ' ' MET . 0.0 OUTLIER -62.74 -45.0 94.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.15 -0.477 . . . . 2.03 110.248 175.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.72 -45.01 95.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 3.79 110.143 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.651 ' HG3' ' HB ' ' A' ' 30' ' ' ILE . 41.6 tpp -56.17 -46.34 79.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.549 -0.75 . . . . 2.09 110.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.536 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -69.5 -48.43 60.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.005 -0.543 . . . . 1.46 112.01 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 p -69.81 -38.64 76.67 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.215 0.45 . . . . 1.75 112.215 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.421 ' OD1' ' HB2' ' A' ' 29' ' ' LYS . 37.0 t70 -76.18 -10.29 59.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 2.5 110.257 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.7 m120 61.61 27.67 17.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.551 -0.75 . . . . 2.77 109.802 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' OD1' ' A' ' 27' ' ' ASP . 87.2 tttt -77.94 -8.8 58.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.987 -1.006 . . . . 3.7 109.971 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.651 ' HB ' ' HG3' ' A' ' 24' ' ' MET . 7.4 tt -70.79 85.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.832 0.825 . . . . 1.4 111.048 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 37.0 m-80 -61.55 154.19 25.49 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.23 -0.896 . . . . 2.15 109.191 174.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -60.07 -34.15 73.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.394 0.516 . . . . 1.51 112.394 -175.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.14 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 1.75 111.146 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.525 HD22 ' HA ' ' A' ' 30' ' ' ILE . 2.2 p-10 -110.42 15.97 21.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.98 -0.555 . . . . 1.45 110.202 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.644 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.1 t -70.78 -20.92 62.55 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.938 -1.134 . . . . 1.76 107.938 174.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.462 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 52.8 m95 -96.29 163.04 13.25 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.931 -1.486 . . . . 0.94 109.591 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 46.3 m-80 71.75 1.2 3.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.603 0.761 . . . . 2.77 111.309 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -110.27 105.79 14.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.391 -0.368 . . . . 2.08 110.749 175.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -123.34 116.07 22.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.706 -0.479 . . . . 1.52 109.706 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 68' ' ' CYS . 10.2 mt -75.54 -44.53 43.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.153 0.501 . . . . 2.26 111.769 -177.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.566 ' HA ' ' HB3' ' A' ' 44' ' ' PHE . 10.5 mm -66.74 -27.13 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.724 . . . . 2.48 111.389 -167.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -52.69 -45.0 66.64 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.043 0.449 . . . . 2.45 110.387 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -84.56 -31.69 24.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 2.15 110.767 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.621 ' CE2' HG23 ' A' ' 150' ' ' THR . 40.9 t80 -66.41 -33.5 75.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 2.68 110.635 -177.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.801 ' HE2' ' HB3' ' A' ' 149' ' ' GLU . 0.2 OUTLIER -68.03 -44.47 76.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 1.84 111.883 -177.143 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 47' ' ' MET . 20.6 t70 -60.99 -28.96 69.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 2.94 111.045 -175.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.741 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 32.5 mtt 76.88 -41.19 0.39 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.357 0.873 . . . . 1.99 113.357 174.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -47.86 -37.65 14.39 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.738 0.644 . . . . 4.03 112.738 -173.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.7 tp -80.01 -33.17 39.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.333 0.494 . . . . 2.71 112.333 -170.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.1 tp -120.02 -19.87 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.382 0.512 . . . . 3.85 112.382 -169.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.741 ' HD3' ' HA ' ' A' ' 47' ' ' MET . 13.8 mptt -83.57 -179.87 7.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.954 0.407 . . . . 3.76 111.43 -175.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -96.71 78.44 2.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.773 -0.649 . . . . 2.55 109.946 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.56 -105.18 1.07 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.801 -0.714 . . . . 1.75 112.0 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.1 0.66 38.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.678 0.275 . . . . 2.87 111.06 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 8.5 t -134.27 -167.26 1.93 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.964 -0.384 . . . . 2.03 109.964 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.641 ' HB ' ' HG3' ' A' ' 51' ' ' LYS . 7.2 p -153.34 129.75 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-O 121.566 0.698 . . . . 1.26 110.552 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.505 ' C ' ' H ' ' A' ' 59' ' ' GLN . 49.7 t-20 -84.31 120.31 26.1 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 106.556 -1.646 . . . . 2.33 106.556 168.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.688 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 70.0 m-85 -67.57 4.7 0.98 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.651 -0.704 . . . . 1.02 111.104 -174.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 57' ' ' ASN . 29.5 tt0 -73.72 -59.61 2.64 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.343 0.592 . . . . 1.97 109.509 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -72.8 -26.92 61.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.309 -0.86 . . . . 2.82 110.095 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.688 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -62.97 -46.59 87.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.791 -0.641 . . . . 1.25 110.633 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.637 ' HB2' ' HD1' ' A' ' 171' ' ' PHE . 35.5 t -68.28 -40.39 81.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.406 -0.361 . . . . 1.46 110.656 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.3 t -55.81 -49.16 73.99 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.238 0.542 . . . . 1.79 110.564 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -73.22 -30.59 63.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.807 -0.633 . . . . 1.96 110.565 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.65 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 50.8 tp -63.01 -46.41 87.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.475 -0.329 . . . . 2.2 110.261 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.82 -45.6 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.287 0.565 . . . . 0.82 109.942 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.88 -42.25 86.41 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.402 -0.817 . . . . 0.61 113.133 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.65 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 31.3 p -69.22 -38.33 78.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.073 0.437 . . . . 1.93 111.838 -174.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.73 -36.04 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.554 -0.458 . . . . 2.13 109.931 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -67.42 -49.54 63.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 3.41 111.318 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.541 HG23 ' HA ' ' A' ' 68' ' ' CYS . 10.1 tt -67.17 -38.62 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.681 0.277 . . . . 1.8 111.591 -176.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.419 ' CE2' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -65.93 -39.38 90.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.674 0.273 . . . . 1.14 110.469 -178.403 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.437 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 12.6 p -76.17 -25.75 55.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.604 -0.271 . . . . 1.34 110.964 176.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 t -62.52 -34.18 76.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.41 -0.589 . . . . 1.89 109.41 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.543 ' NH2' ' HA ' ' A' ' 140' ' ' VAL . 58.9 mtm180 -68.33 -36.72 79.69 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.887 -0.597 . . . . 2.35 109.907 175.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.568 HG23 HD11 ' A' ' 189' ' ' LEU . 99.2 t -56.95 -44.25 82.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.178 0.513 . . . . 1.48 109.732 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.29 -27.49 69.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.741 -0.663 . . . . 1.87 111.013 176.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 m -67.69 -33.82 75.67 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.774 0.321 . . . . 1.71 110.574 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.417 HG13 ' CE ' ' A' ' 137' ' ' MET . 21.9 t -65.94 -40.4 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.253 -0.647 . . . . 2.02 109.253 173.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.35 -26.67 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.552 -0.749 . . . . 1.45 110.645 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.5 m -67.15 -32.12 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 2.29 109.982 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 2.42 109.998 174.859 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.14 0.495 . . . . 4.91 111.231 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -70.75 -23.72 62.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 5.02 112.396 -176.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.59 -25.47 26.52 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.25 0.463 . . . . 3.16 112.25 -175.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 24.1 mmt -54.72 -27.97 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.526 0.565 . . . . 3.96 112.526 -175.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.9 m -64.01 -37.82 88.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.979 0.419 . . . . 1.99 110.419 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.505 HD22 ' CE ' ' A' ' 136' ' ' MET . 0.2 OUTLIER -67.18 -42.59 84.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.835 -0.802 . . . . 2.57 108.835 177.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -60.42 -38.7 84.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.623 -0.717 . . . . 4.02 110.336 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -61.26 -45.41 94.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.05 -0.523 . . . . 1.92 110.737 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 133' ' ' LEU . 59.2 mtm -68.97 -38.43 79.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 1.63 110.708 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.417 ' CE ' HG13 ' A' ' 79' ' ' VAL . 19.8 mmt -62.6 -38.44 90.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.103 0.478 . . . . 1.97 110.049 174.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -60.73 -38.15 84.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.5 -0.773 . . . . 3.84 110.26 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 28.1 m -62.15 -47.7 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 1.61 110.185 175.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.543 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 85.1 t -59.05 -50.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.779 -0.646 . . . . 1.79 111.038 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.89 -38.39 90.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.891 -0.595 . . . . 2.05 111.779 -176.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -59.4 -51.88 68.0 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.244 -0.182 . . . . 3.34 110.864 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . 0.614 ' O ' HG13 ' A' ' 147' ' ' ILE . 5.1 m-20 -59.99 -44.32 94.6 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.998 -0.371 . . . . 1.64 109.998 177.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -53.75 -53.57 50.35 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.3 0.375 . . . . 2.41 111.386 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -62.88 -42.31 99.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.97 110.584 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -65.93 -31.28 72.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.556 . . . . 3.26 111.182 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 143' ' ' ASP . 74.5 mt -60.83 -50.73 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 110.394 -0.225 . . . . 1.32 110.394 176.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -55.62 -44.28 76.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.224 0.535 . . . . 2.39 110.376 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.801 ' HB3' ' HE2' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -61.05 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.344 -0.843 . . . . 2.47 110.357 178.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' THR . . . . . 0.621 HG23 ' CE2' ' A' ' 44' ' ' PHE . 53.8 m -66.69 -49.32 66.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.522 . . . . 1.44 111.347 -178.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.418 HD12 HD21 ' A' ' 179' ' ' LEU . 71.8 mt -59.41 -42.74 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.387 . . . . 1.68 110.449 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.43 95.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.315 -0.402 . . . . 1.24 110.906 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 41.5 m -64.69 -51.01 64.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 1.27 111.076 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.24 -33.08 74.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 1.97 110.83 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 20.0 t70 -62.0 -45.32 94.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.071 -0.513 . . . . 0.78 110.585 175.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.417 ' O ' ' HD3' ' A' ' 160' ' ' LYS . 49.1 mt-10 -69.7 -29.71 67.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 2.52 110.772 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -66.25 -30.67 71.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.928 0.394 . . . . 1.28 110.285 174.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.671 ' HB3' ' HZ2' ' A' ' 158' ' ' LYS . 9.3 mtpm? -73.19 -25.1 60.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 2.51 110.389 175.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 155' ' ' ASP . 77.6 mtt180 -73.14 -38.91 66.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 4.22 109.819 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 5.7 mptp? -66.79 -52.92 38.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.982 -0.554 . . . . 3.38 110.049 173.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -107.83 85.53 2.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 1.97 110.428 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 36.1 m -91.06 2.64 56.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.029 -0.532 . . . . 4.06 110.624 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -95.12 -151.94 28.84 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.892 -0.671 . . . . 3.39 112.215 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -103.05 40.22 2.51 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.918 -0.658 . . . . 3.62 112.603 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 26.6 t -66.59 -33.23 75.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.224 0.535 . . . . 3.61 110.052 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -146.68 -174.56 4.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 4.07 109.398 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.83 61.04 2.54 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.615 -0.803 . . . . 1.78 112.056 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 6.2 p -67.33 -50.01 61.77 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.164 0.431 . . . . 2.0 112.164 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -66.08 -42.32 89.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 4.19 110.627 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 57.6 ttp -61.01 -38.3 85.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 1.53 110.66 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.637 ' HD1' ' HB2' ' A' ' 62' ' ' SER . 92.4 t80 -66.0 -33.07 74.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.918 -0.583 . . . . 0.99 111.123 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.04 -45.88 76.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 2.38 110.439 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.34 -42.01 88.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.915 -0.584 . . . . 2.29 110.777 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -70.95 -31.84 68.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.155 -0.475 . . . . 4.06 111.117 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 27.0 ttmt -57.77 -55.15 38.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 1.78 110.791 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.88 -33.91 75.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 1.35 111.08 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -73.47 -42.6 61.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 2.5 110.726 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.99 99.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.48 110.528 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 87.0 mt -60.96 -39.31 89.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 2.23 111.005 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 184' ' ' LYS . 52.5 tptt -62.21 -46.2 89.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 3.56 110.373 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 19.8 m -66.64 -40.66 88.83 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.182 0.515 . . . . 1.74 110.717 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.9 -46.66 89.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 1.17 110.845 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -60.22 -35.34 75.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 1.26 111.727 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 180' ' ' LYS . 99.7 mttt -55.98 -51.89 66.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 3.33 110.977 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -76.71 -27.83 55.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.953 -0.567 . . . . 2.71 110.66 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.35 -35.03 79.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 1.16 110.957 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 94.2 mt -60.73 -43.14 98.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.629 -0.508 . . . . 3.01 109.629 173.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -65.39 -40.15 93.1 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.753 -0.658 . . . . 3.19 110.106 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.568 HD11 HG23 ' A' ' 76' ' ' VAL . 52.9 tp -54.7 -43.93 72.96 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.846 0.355 . . . . 1.95 111.028 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.37 -40.95 96.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.446 . . . . 2.72 111.54 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -70.32 -45.74 65.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.24 0.543 . . . . 2.86 110.683 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' ILE . . . . . 1.041 HG21 HD12 ' A' ' 196' ' ' LEU . 45.2 mt -57.17 -51.5 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.323 -0.853 . . . . 1.6 111.308 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 12.4 p -61.45 -47.42 85.78 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.848 -0.341 . . . . 2.11 111.116 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -62.44 -57.35 11.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 3.84 111.702 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.28 -53.22 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.482 0.549 . . . . 4.02 112.482 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 1.041 HD12 HG21 ' A' ' 192' ' ' ILE . 63.2 mt . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.572 -0.286 . . . . 3.89 111.739 -170.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo . . . . . 0 N--CA 1.461 -0.393 0 CA-C-O 121.086 0.369 . . . . 2.04 111.426 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mm -63.64 -32.84 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.767 -0.651 . . . . 2.8 110.516 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.607 ' HA ' HD11 ' A' ' 49' ' ' LEU . 4.1 pp -67.01 -30.52 70.65 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.917 -0.313 . . . . 2.67 110.361 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.513 ' N ' HD11 ' A' ' 15' ' ' LEU . . . -76.28 -32.92 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.07 0.462 . . . . 1.51 109.959 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -44.15 85.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 2.85 110.145 174.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.36 -50.65 73.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 1.72 111.094 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 9.6 pt-20 -69.42 -27.09 64.97 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.866 -0.334 . . . . 2.43 111.025 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -64.7 -41.37 96.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.236 0.541 . . . . 1.99 109.545 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.546 ' HA ' ' HE2' ' A' ' 38' ' ' PHE . 38.6 m0 -65.23 -42.21 93.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.442 -0.799 . . . . 1.36 110.334 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.617 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -68.02 -38.83 83.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.968 -0.56 . . . . 2.03 110.373 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -58.5 -41.88 86.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.778 -0.646 . . . . 3.79 110.038 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.695 ' HG3' ' HB ' ' A' ' 30' ' ' ILE . 46.7 tpp -64.51 -47.32 79.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.217 -0.901 . . . . 2.09 110.592 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . . . -69.06 -51.75 35.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.785 -0.643 . . . . 1.46 112.391 -176.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -62.1 -39.13 91.47 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.56 0.578 . . . . 1.75 112.56 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.16 3.05 28.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.998 0.427 . . . . 2.5 110.59 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.6 t30 61.06 25.97 15.95 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.889 0.852 . . . . 2.77 110.179 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -80.78 -16.12 54.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.146 -0.934 . . . . 3.7 109.5 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.762 ' HA ' HD22 ' A' ' 34' ' ' ASN . 6.3 tt -71.0 95.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.14 -0.936 . . . . 1.4 110.85 178.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -71.27 159.87 33.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.817 -0.809 . . . . 2.15 108.817 173.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.92 78.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.822 0.344 . . . . 1.51 111.317 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.6 70.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.253 -0.43 . . . . 1.75 111.256 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.762 HD22 ' HA ' ' A' ' 30' ' ' ILE . 2.0 p-10 -110.96 14.53 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 1.45 111.125 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.436 ' HA ' HD11 ' A' ' 30' ' ' ILE . 67.4 m -72.15 -16.62 61.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.148 -1.056 . . . . 1.76 108.148 170.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.454 ' O ' ' HB3' ' A' ' 37' ' ' ASN . 22.4 m95 -81.64 152.5 27.12 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 114.369 -1.287 . . . . 0.94 109.428 173.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' TRP . 7.2 t30 71.29 -2.18 2.48 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.179 0.925 . . . . 2.77 110.795 -173.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.546 ' HE2' ' HA ' ' A' ' 21' ' ' TRP . 11.7 m-85 -108.7 94.4 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.762 0.315 . . . . 2.08 110.76 175.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.493 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -136.12 117.09 14.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.088 0.47 . . . . 1.52 110.497 172.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.428 HD13 ' HE3' ' A' ' 22' ' ' MET . 79.2 mt -73.28 -17.16 61.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.867 -0.606 . . . . 2.26 110.919 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 1.06 ' HA ' ' HD2' ' A' ' 44' ' ' PHE . 15.4 mt -62.62 -29.57 47.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.48 -0.782 . . . . 2.48 111.89 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.09 -29.66 70.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.877 0.37 . . . . 2.45 110.443 176.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -73.23 -31.88 64.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 2.15 110.579 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 1.06 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 84.4 m-85 -65.19 -42.72 93.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.367 . . . . 2.68 110.693 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -75.83 -29.13 58.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.131 0.491 . . . . 1.84 110.394 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.94 -58.26 7.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.576 -0.738 . . . . 2.94 111.224 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.578 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 50.9 mtt 54.93 40.45 32.01 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.678 -0.692 . . . . 1.99 112.652 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 t -110.77 -32.7 6.77 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.13 -0.692 . . . . 4.03 109.13 169.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.607 HD11 ' HA ' ' A' ' 15' ' ' LEU . 8.4 tt -90.72 -52.12 5.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.599 -0.728 . . . . 2.71 110.128 178.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -73.45 -32.85 64.59 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.036 -0.529 . . . . 3.85 111.361 -175.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.638 ' HZ1' ' HH ' ' A' ' 157' ' ' TYR . 47.6 tttp -86.51 126.43 34.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.98 -0.555 . . . . 3.76 110.149 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -122.13 101.5 7.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.03 -0.532 . . . . 2.55 110.4 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.25 -140.83 15.91 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.553 -0.749 . . . . 1.75 112.949 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.36 -29.41 59.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.987 0.422 . . . . 2.87 111.662 -173.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -131.21 -166.22 1.67 Allowed 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.569 -0.53 . . . . 2.03 109.569 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.58 130.52 56.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.311 0.577 . . . . 1.26 109.772 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 15.3 m120 -70.75 111.58 6.31 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.143 -0.935 . . . . 2.33 109.418 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.681 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 50.2 m-85 -70.76 -4.45 23.95 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.867 -0.606 . . . . 1.02 110.962 -176.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.01 -59.25 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.121 -0.696 . . . . 1.97 109.121 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 13.9 ptmm? -64.6 -27.69 69.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.315 -0.857 . . . . 2.82 110.073 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.681 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -66.87 -30.62 70.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.806 -0.634 . . . . 1.25 111.017 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.402 ' OG ' ' HG3' ' A' ' 174' ' ' ARG . 66.6 m -70.13 -40.52 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.445 -0.343 . . . . 1.46 110.399 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.6 t -61.11 -49.69 76.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.094 -0.503 . . . . 1.79 110.463 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.408 ' HG1' ' HE1' ' A' ' 44' ' ' PHE . 12.6 p -67.56 -26.41 66.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.456 . . . . 1.96 111.169 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.438 ' HB2' HH21 ' A' ' 174' ' ' ARG . 3.4 tm? -65.29 -52.38 54.56 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.956 -0.387 . . . . 2.2 109.956 176.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.35 -42.09 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.82 110.191 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.56 ' HA2' ' HE2' ' A' ' 70' ' ' LYS . . . -65.59 -35.72 91.52 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.915 -0.66 . . . . 0.61 112.24 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.14 -53.27 52.16 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.578 0.351 . . . . 1.93 111.125 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.13 -37.05 76.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.32 0.581 . . . . 2.13 110.199 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HE2' ' HA2' ' A' ' 67' ' ' GLY . 34.4 ttpt -65.7 -50.84 63.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.266 -0.879 . . . . 3.41 111.394 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.4 HD13 ' HB3' ' A' ' 38' ' ' PHE . 16.7 tt -72.76 -33.06 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 1.8 111.176 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.601 ' HH ' ' HZ3' ' A' ' 144' ' ' LYS . 33.2 t80 -57.79 -47.38 82.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 1.14 110.453 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.65 HG23 ' HD3' ' A' ' 185' ' ' LYS . 11.5 p -75.27 -27.89 59.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.359 0.503 . . . . 1.34 112.359 -175.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 p -70.94 -31.45 68.04 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.253 0.549 . . . . 1.89 109.823 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -68.61 -31.78 71.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.647 -0.706 . . . . 2.35 109.917 173.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.598 HG21 ' O ' ' A' ' 72' ' ' TYR . 26.0 t -68.39 -35.3 70.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.2 0.524 . . . . 1.48 109.829 174.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -64.6 -28.94 69.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.869 0.366 . . . . 1.87 110.432 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.45 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 13.7 m -66.14 -48.81 69.57 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.184 0.516 . . . . 1.71 110.621 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.528 HG13 ' HE3' ' A' ' 136' ' ' MET . 24.3 m -67.69 -28.28 41.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 116.171 -0.468 . . . . 2.02 110.567 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.49 ' HB2' HD13 ' A' ' 192' ' ' ILE . . . -58.3 -48.97 78.79 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.615 0.245 . . . . 1.45 111.431 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.5 m -61.76 -42.72 99.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.159 0.504 . . . . 2.29 110.196 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.759 -0.655 . . . . 2.42 112.009 -179.064 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.118 0.485 . . . . 4.91 111.116 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -62.44 -25.27 67.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.574 -0.739 . . . . 5.02 112.213 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 131' ' ' MET . 6.2 pt-20 -54.42 -32.2 56.82 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.93 0.395 . . . . 3.16 111.151 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.524 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 80.7 mtp -61.69 -38.03 86.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 3.96 110.346 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' A' ' 136' ' ' MET . 24.3 m -73.4 -41.19 63.63 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.821 -0.627 . . . . 1.99 111.161 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.425 ' HA ' ' HE1' ' A' ' 136' ' ' MET . 3.2 tm? -61.19 -51.97 66.79 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.723 -0.217 . . . . 2.57 111.193 -175.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 131' ' ' MET . 60.3 pttt -65.4 -30.66 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.825 -0.35 . . . . 4.02 110.7 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -67.03 -43.87 81.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 1.92 109.873 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' MET . . . . . 0.528 ' HE3' HG13 ' A' ' 79' ' ' VAL . 44.5 mtm -63.53 -46.04 87.85 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.211 -0.45 . . . . 1.63 110.824 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 13.7 mmt -55.12 -43.99 74.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.003 0.43 . . . . 1.97 110.721 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -64.47 -44.46 90.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 3.84 110.543 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 143' ' ' ASP . 91.1 m -58.81 -41.42 86.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 1.61 110.799 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 136' ' ' MET . 75.2 t -62.74 -43.04 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.173 0.511 . . . . 1.79 110.89 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 49.0 mt -73.52 -37.8 65.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.457 -0.338 . . . . 2.05 111.196 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.687 ' HZ3' ' HB3' ' A' ' 142' ' ' LYS . 8.3 mtpm? -70.57 -28.52 64.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.019 0.438 . . . . 3.34 110.215 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . 0.569 ' HA ' ' HG3' ' A' ' 146' ' ' LYS . 7.2 t70 -68.51 -31.48 70.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.445 0.64 . . . . 1.64 109.511 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.601 ' HZ3' ' HH ' ' A' ' 72' ' ' TYR . 17.0 ttmm -61.11 -42.69 98.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.435 -0.802 . . . . 2.41 109.104 172.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.539 ' ND1' ' HA ' ' A' ' 142' ' ' LYS . 26.2 m170 -65.92 -30.13 70.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.162 -0.927 . . . . 0.97 110.517 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.569 ' HG3' ' HA ' ' A' ' 143' ' ' ASP . 38.2 mttp -57.69 -47.2 83.01 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.951 -0.388 . . . . 3.26 109.951 173.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 59.0 mt -59.93 -40.36 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.742 -0.663 . . . . 1.32 110.492 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -54.03 -47.95 71.03 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.973 -0.558 . . . . 2.39 110.47 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -63.16 -40.21 96.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.873 -0.603 . . . . 2.47 110.628 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' THR . . . . . 0.506 HG23 ' HB3' ' A' ' 44' ' ' PHE . 68.9 m -59.84 -51.46 69.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 1.44 111.302 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.17 -41.49 89.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 1.68 110.444 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.35 99.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 1.24 111.487 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 20.2 m -66.75 -45.5 78.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.533 -0.303 . . . . 1.27 110.634 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.3 -31.68 72.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.936 0.398 . . . . 1.97 110.643 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.551 ' O ' ' HB3' ' A' ' 158' ' ' LYS . 21.1 t70 -64.22 -37.8 88.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.01 -0.541 . . . . 0.78 111.033 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.508 ' OE2' ' HE2' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -77.6 -26.11 50.4 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.587 -0.445 . . . . 2.52 110.139 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.638 ' HH ' ' HZ1' ' A' ' 51' ' ' LYS . 8.5 m-85 -66.28 -39.51 89.46 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.61 -0.515 . . . . 1.28 109.61 171.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 155' ' ' ASP . 19.8 ttpt -55.45 -38.71 69.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.333 -0.849 . . . . 2.51 110.173 172.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 156' ' ' GLU . 56.1 ttp180 -63.62 -47.22 82.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.503 -0.771 . . . . 4.22 110.768 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.508 ' HE2' ' OE2' ' A' ' 156' ' ' GLU . 23.5 mttm -63.22 -42.2 99.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.47 -0.332 . . . . 3.38 111.473 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -68.5 95.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.197 0.522 . . . . 1.97 111.05 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 9.7 p -96.41 -5.82 38.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.779 -0.646 . . . . 4.06 110.758 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 172.76 -176.22 45.65 Favored Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.637 -0.711 . . . . 3.39 111.546 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 70.63 29.17 69.92 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.974 -0.631 . . . . 3.62 111.799 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 39.0 t -165.15 135.57 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.981 0.419 . . . . 3.61 110.427 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -96.89 -11.55 24.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.44 0.638 . . . . 4.07 109.671 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -86.19 -4.28 84.13 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.204 -0.907 . . . . 1.78 112.686 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 1.5 m -66.3 -50.51 63.42 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.97 0.385 . . . . 2.0 110.956 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -72.67 -29.46 63.45 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.99 0.424 . . . . 4.19 110.365 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' MET . . . . . 0.413 ' HE2' ' HB3' ' A' ' 170' ' ' MET . 15.1 tmm? -67.15 -33.92 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 1.53 109.681 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.551 ' O ' ' HG3' ' A' ' 175' ' ' LYS . 73.2 t80 -61.81 -32.26 72.55 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.463 -0.789 . . . . 0.99 110.874 177.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.405 ' HG3' ' HE2' ' A' ' 175' ' ' LYS . 36.3 tt0 -62.57 -49.17 76.32 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.131 0.491 . . . . 2.38 110.282 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -61.79 -30.07 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.664 . . . . 2.29 109.807 174.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.438 HH21 ' HB2' ' A' ' 65' ' ' LEU . 3.6 tmt_? -72.82 -29.6 63.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.285 -0.87 . . . . 4.06 110.916 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 33.8 mtmt -64.7 -56.19 15.28 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.233 -0.654 . . . . 1.78 109.233 177.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.37 -34.0 77.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.267 -0.879 . . . . 1.35 110.802 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -58.25 -52.12 66.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 2.5 109.989 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.16 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.578 -0.737 . . . . 1.48 111.344 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 86.6 mt -56.72 -48.9 76.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 2.23 111.39 -176.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -68.7 -39.53 80.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.205 -0.452 . . . . 3.56 111.52 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' THR . . . . . 0.508 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 34.6 m -70.95 -40.93 71.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.197 0.523 . . . . 1.74 110.645 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 27.9 ttt -65.05 -42.73 93.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.769 -0.651 . . . . 1.17 110.639 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -66.86 -33.55 75.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 1.26 111.671 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 181' ' ' THR . 4.0 ptmm? -71.75 -40.79 69.11 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.6 0.714 . . . . 3.33 109.94 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.65 ' HD3' HG23 ' A' ' 73' ' ' THR . 45.4 mttp -73.94 -29.68 62.15 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.923 -1.035 . . . . 2.71 111.119 175.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.09 -31.32 72.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.034 -0.53 . . . . 1.16 110.971 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 93.0 mt -64.89 -34.64 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.989 -0.551 . . . . 3.01 110.52 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -70.37 -35.16 73.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 3.19 110.366 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.562 ' HG ' HG11 ' A' ' 76' ' ' VAL . 7.5 tt -59.94 -44.1 94.58 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.229 -0.656 . . . . 1.95 109.229 174.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.4 -43.18 93.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.525 -0.761 . . . . 2.72 110.668 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.77 -32.15 73.7 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.484 -0.326 . . . . 2.86 111.205 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' ILE . . . . . 0.563 HD11 HG13 ' A' ' 76' ' ' VAL . 20.4 mt -55.98 -52.28 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 1.6 110.218 175.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 13.3 p -68.83 -42.24 77.46 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.769 -0.372 . . . . 2.11 111.198 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.78 -55.1 33.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 3.84 111.427 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.91 -43.59 74.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.516 . . . . 4.02 111.319 -174.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.214 -0.809 0 N-CA-C 111.962 0.356 . . . . 3.89 111.962 -178.786 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 C--O 1.234 0.324 0 CA-C-O 121.278 0.449 . . . . 2.04 112.834 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mt -61.31 -34.73 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.429 -0.805 . . . . 2.8 110.052 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.613 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 7.8 mp -62.5 -46.87 86.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.357 -0.838 . . . . 2.67 110.097 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.68 90.9 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.0 -0.545 . . . . 1.51 111.21 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -60.97 -44.78 96.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.073 0.463 . . . . 2.85 110.067 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.551 ' O ' ' HG2' ' A' ' 22' ' ' MET . 60.8 t80 -63.81 -39.85 95.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.594 -0.73 . . . . 1.72 110.755 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 27.2 mm-40 -59.1 -54.09 51.02 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.125 -0.489 . . . . 2.43 111.557 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.79 -35.05 79.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.886 0.374 . . . . 1.99 110.486 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.57 ' CZ3' ' HE1' ' A' ' 43' ' ' TYR . 9.7 m0 -58.99 -46.04 89.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.954 -0.566 . . . . 1.36 110.697 175.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.659 ' HE1' ' HG ' ' A' ' 40' ' ' LEU . 26.6 mmt -62.13 -43.25 99.25 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.296 -0.411 . . . . 2.03 110.371 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HE2' ' HB2' ' A' ' 23' ' ' LYS . 14.2 tppt? -59.46 -45.83 90.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 3.79 110.672 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.8 ttm -71.82 -40.07 69.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.97 -0.559 . . . . 2.09 111.234 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.57 -44.8 73.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 1.46 111.636 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -66.99 -35.46 80.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 1.75 111.408 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.76 -3.45 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.937 0.398 . . . . 2.5 110.688 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.9 m120 62.82 37.83 12.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.752 -0.658 . . . . 2.77 112.0 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -108.46 26.9 9.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.261 0.553 . . . . 3.7 111.047 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 35' ' ' SER . 5.1 tt -81.97 112.07 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.845 -0.616 . . . . 1.4 110.006 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.636 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 41.1 m-80 -69.35 146.2 52.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.02 -0.537 . . . . 2.15 109.819 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.458 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -66.96 -31.19 71.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.741 0.305 . . . . 1.51 111.179 -178.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.7 -48.32 77.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.19 0.519 . . . . 1.75 110.815 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.636 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 2.0 p-10 -99.14 14.93 27.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.965 -0.561 . . . . 1.45 111.018 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.458 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 20.5 t -66.31 -22.96 66.3 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.806 -1.183 . . . . 1.76 107.806 171.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -74.49 138.82 43.44 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.796 -1.093 . . . . 0.94 109.276 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 69.27 4.81 4.78 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.937 -1.029 . . . . 2.77 111.5 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.507 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -104.49 24.89 10.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.845 0.355 . . . . 2.08 110.478 177.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.9 119.66 20.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.239 0.542 . . . . 1.52 111.237 -175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.667 HD12 HG13 ' A' ' 71' ' ' ILE . 8.7 mp -70.45 -20.92 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.467 -0.788 . . . . 2.26 109.993 174.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.821 ' HA ' ' HD2' ' A' ' 44' ' ' PHE . 12.6 mt -65.79 -29.62 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 114.638 -1.165 . . . . 2.48 112.327 -170.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.75 -31.65 72.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 2.45 110.757 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.57 ' HE1' ' CZ3' ' A' ' 21' ' ' TRP . 67.0 m-85 -71.59 -29.36 64.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 2.15 112.021 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.821 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 73.9 m-85 -58.01 -34.03 69.58 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.633 0.234 . . . . 2.68 111.633 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.54 ' CE1' ' HG2' ' A' ' 146' ' ' LYS . 33.2 m170 -66.3 -46.45 76.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.683 -0.235 . . . . 1.84 111.059 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 48' ' ' SER . 2.1 m-20 -61.35 -50.76 71.6 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.552 -0.536 . . . . 2.94 109.552 175.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.1 ttt 71.52 -14.89 0.46 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.301 -0.863 . . . . 1.99 112.356 172.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 46' ' ' ASP . 3.5 m -58.73 -26.07 63.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.478 0.548 . . . . 4.03 112.478 -174.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.3 mt -89.45 -9.45 50.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.944 0.402 . . . . 2.71 111.36 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD22 HG21 ' A' ' 64' ' ' THR . 97.1 mt -111.76 -30.76 7.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.467 0.651 . . . . 3.85 110.018 178.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 29.0 ttpp -83.03 137.72 34.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.354 -0.839 . . . . 3.76 109.898 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -119.3 99.1 6.49 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.184 -0.673 . . . . 2.55 109.184 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.85 -114.0 3.74 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.774 -0.727 . . . . 1.75 111.898 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -102.75 -11.67 18.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.763 0.316 . . . . 2.87 111.112 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.4 t -127.47 163.59 23.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.742 -0.466 . . . . 2.03 109.742 -175.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 7.1 p -113.12 132.59 61.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.385 0.612 . . . . 1.26 111.335 -174.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -70.31 101.73 1.98 Allowed 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.082 -0.963 . . . . 2.33 109.852 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.678 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 61.0 m-85 -62.89 -10.31 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 1.02 110.418 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -71.82 -58.71 3.23 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.286 -0.635 . . . . 1.97 109.286 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -71.61 -27.64 63.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.834 -0.621 . . . . 2.82 110.321 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.678 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -65.98 -44.03 86.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 1.25 111.304 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.71 ' HB2' ' HG2' ' A' ' 174' ' ' ARG . 55.9 p -66.09 -39.52 90.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.884 0.373 . . . . 1.46 110.466 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.88 -45.06 94.34 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.014 -0.539 . . . . 1.79 110.766 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.488 HG21 HD22 ' A' ' 50' ' ' LEU . 17.3 p -75.18 -28.9 60.24 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.326 -0.397 . . . . 1.96 111.67 -178.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.38 -43.31 77.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.098 0.475 . . . . 2.2 109.92 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.58 -46.59 85.17 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.842 -0.617 . . . . 0.82 110.303 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.443 ' O ' HG12 ' A' ' 71' ' ' ILE . . . -62.09 -32.11 81.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.388 -0.823 . . . . 0.61 111.764 176.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.613 ' SG ' HG12 ' A' ' 41' ' ' ILE . 51.8 t -60.2 -41.99 94.15 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.519 0.327 . . . . 1.93 110.563 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.06 -40.13 82.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.103 0.478 . . . . 2.13 110.106 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -66.67 -50.77 61.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 3.41 111.111 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.667 HG13 HD12 ' A' ' 40' ' ' LEU . 49.4 mm -60.96 -38.99 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.011 0.434 . . . . 1.8 110.877 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.795 ' HH ' ' HB2' ' A' ' 144' ' ' LYS . 46.6 t80 -58.41 -56.04 27.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 1.14 110.312 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 p -70.96 -26.16 63.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.015 -0.539 . . . . 1.34 111.531 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.3 t -59.89 -40.22 87.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.075 0.464 . . . . 1.89 109.878 174.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.523 ' O ' HG21 ' A' ' 79' ' ' VAL . 78.0 mtp180 -73.03 -33.51 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 2.35 110.39 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 72' ' ' TYR . 56.1 t -61.65 -46.44 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.081 0.467 . . . . 1.48 109.992 175.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.43 -39.11 78.9 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.732 -0.667 . . . . 1.87 110.373 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.8 m -61.99 -38.26 87.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.086 -0.506 . . . . 1.71 110.873 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 75' ' ' ARG . 27.3 t -62.1 -48.56 87.91 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 N-CA-C 110.098 -0.334 . . . . 2.02 110.098 176.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.12 75.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 1.45 110.888 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 m -69.25 -33.58 73.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.877 -0.602 . . . . 2.29 110.302 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 121.079 0.466 . . . . 2.42 109.853 176.771 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.624 0.25 . . . . 4.91 111.185 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -69.09 -34.77 75.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.022 0.439 . . . . 5.02 110.35 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -63.52 -39.21 93.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.929 -0.578 . . . . 3.16 110.423 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.37 -32.74 71.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.626 -0.715 . . . . 3.96 110.622 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.1 m -66.81 -31.97 72.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 1.99 110.837 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.464 ' HB3' HD22 ' A' ' 196' ' ' LEU . 4.5 mm? -65.45 -46.71 78.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.971 0.415 . . . . 2.57 110.308 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.47 -39.6 88.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.768 -0.651 . . . . 4.02 109.813 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -56.73 -50.59 71.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.648 -0.705 . . . . 1.92 111.204 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 69.7 mtm -62.9 -37.68 87.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.738 -0.21 . . . . 1.63 111.06 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.527 ' HE1' ' HA ' ' A' ' 193' ' ' THR . 12.2 mmt -58.41 -50.26 74.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 1.97 110.629 174.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -57.58 -36.76 72.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.204 -0.453 . . . . 3.84 110.665 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' THR . . . . . 0.41 HG21 HH22 ' A' ' 75' ' ' ARG . 54.5 m -66.86 -52.82 38.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.639 -0.709 . . . . 1.61 111.627 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.609 HG12 HD13 ' A' ' 141' ' ' LEU . 10.8 p -66.3 -39.32 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 120.989 -0.284 . . . . 1.79 111.56 -175.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.609 HD13 HG12 ' A' ' 140' ' ' VAL . 7.5 mp -65.27 -27.49 68.68 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.08 -0.388 . . . . 2.05 111.379 174.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -67.77 -33.55 75.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 3.34 109.841 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . 0.488 ' HB3' HD12 ' A' ' 41' ' ' ILE . 7.6 m-20 -67.1 -31.39 71.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.031 -0.531 . . . . 1.64 110.432 175.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.795 ' HB2' ' HH ' ' A' ' 72' ' ' TYR . 38.2 ttpt -58.74 -41.52 86.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.755 -0.461 . . . . 2.41 109.755 174.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.478 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 29.1 m170 -61.47 -39.26 90.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.705 -0.68 . . . . 0.97 110.656 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.54 ' HG2' ' CE1' ' A' ' 45' ' ' HIS . 87.0 mttt -59.75 -39.9 86.34 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.242 0.544 . . . . 3.26 110.117 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 143' ' ' ASP . 69.6 mt -61.82 -48.06 90.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.544 -0.753 . . . . 1.32 110.308 178.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 144' ' ' LYS . 63.1 mm-40 -53.33 -48.76 68.19 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.836 -0.62 . . . . 2.39 111.012 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 41.3 mt-10 -62.44 -46.59 87.86 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.62 -0.718 . . . . 2.47 111.143 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 24.3 m -64.23 -44.05 93.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.94 -0.573 . . . . 1.44 111.379 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.6 -46.37 90.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.602 0.239 . . . . 1.68 110.91 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.94 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 1.24 110.876 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.9 m -68.18 -49.57 60.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 1.27 110.693 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.13 -40.19 95.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.282 -0.417 . . . . 1.97 110.92 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.429 ' HA ' ' HE2' ' A' ' 171' ' ' PHE . 23.0 t70 -63.52 -29.58 70.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.961 -0.563 . . . . 0.78 110.772 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.89 -36.88 64.83 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.284 -0.416 . . . . 2.52 110.315 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -61.42 -46.11 91.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.636 -0.505 . . . . 1.28 109.636 172.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 158' ' ' LYS . 11.9 ttpt -59.55 -36.86 77.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 2.51 110.855 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -64.28 -48.59 75.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.698 -0.683 . . . . 4.22 111.164 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -71.45 -28.7 64.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.681 0.277 . . . . 3.38 111.083 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -69.83 160.92 30.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.164 0.507 . . . . 1.97 111.052 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 15.8 m -76.91 133.97 39.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.752 -0.658 . . . . 4.06 110.505 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . 0.472 ' HA2' HG23 ' A' ' 168' ' ' THR . . . -69.42 -26.61 74.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.948 -0.644 . . . . 3.39 112.587 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -80.95 -3.46 90.61 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.98 -0.629 . . . . 3.62 112.61 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 64.8 m -81.8 149.82 28.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.646 0.26 . . . . 3.61 110.378 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -73.47 135.26 44.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.414 -0.357 . . . . 4.07 110.115 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 109.95 -38.87 3.11 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.845 -0.693 . . . . 1.78 111.64 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' THR . . . . . 0.472 HG23 ' HA2' ' A' ' 163' ' ' GLY . 5.1 m -59.18 -49.32 78.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.061 0.458 . . . . 2.0 110.967 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -72.0 -33.03 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.868 -0.605 . . . . 4.19 110.21 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 58.4 ttp -63.7 -44.35 93.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 1.53 110.259 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.429 ' HE2' ' HA ' ' A' ' 155' ' ' ASP . 84.0 t80 -68.41 -44.04 75.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.014 -0.539 . . . . 0.99 110.914 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.86 -45.74 85.88 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.276 0.56 . . . . 2.38 110.12 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.65 -43.72 92.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.158 -0.928 . . . . 2.29 111.24 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.71 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 16.3 tpp180 -67.5 -38.0 83.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 4.06 111.049 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 36.2 ttpt -61.58 -51.57 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.602 -0.272 . . . . 1.78 111.071 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.03 -36.61 80.0 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.132 -0.227 . . . . 1.35 111.13 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.0 -41.7 74.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.731 0.3 . . . . 2.5 110.538 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.53 95.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 1.48 110.721 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 87.0 mt -67.24 -35.35 79.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.085 0.469 . . . . 2.23 110.589 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.77 -52.32 57.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 3.56 110.607 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' THR . . . . . 0.451 ' O ' ' HD3' ' A' ' 185' ' ' LYS . 13.2 t -71.16 -32.55 69.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.297 -0.41 . . . . 1.74 110.511 -178.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 26.6 ttt -60.6 -39.16 87.14 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.403 -0.221 . . . . 1.17 110.403 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . 0.517 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -62.93 -38.68 91.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.876 0.37 . . . . 1.26 110.838 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -67.67 -41.3 83.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 3.33 110.819 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 181' ' ' THR . 5.0 mptp? -69.81 -35.18 74.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 2.71 110.391 176.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' ASP . . . . . 0.482 ' HA ' ' HB3' ' A' ' 189' ' ' LEU . 10.3 t70 -62.07 -34.04 75.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 1.16 110.892 178.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 93.2 mt -59.13 -48.74 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 3.01 111.086 178.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . 0.648 ' HZ2' ' HB3' ' A' ' 188' ' ' LYS . 0.2 OUTLIER -77.68 -30.17 51.81 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.019 -0.272 . . . . 3.19 110.809 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.595 HD21 ' HE2' ' A' ' 72' ' ' TYR . 8.0 tp -56.18 -61.8 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 1.95 110.746 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -67.67 -25.88 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 2.72 110.904 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -61.18 -44.45 97.28 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.719 -0.475 . . . . 2.86 109.719 174.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.9 -40.51 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 1.6 110.489 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.527 ' HA ' ' HE1' ' A' ' 137' ' ' MET . 5.4 m -60.24 -44.28 95.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.86 0.362 . . . . 2.11 111.213 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -69.27 -47.39 64.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.364 . . . . 3.84 110.76 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.7 tp -56.51 -43.52 79.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.936 -0.575 . . . . 4.02 110.605 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 133' ' ' LEU . 49.6 tp . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.861 -0.609 . . . . 3.89 110.787 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo . . . . . 0 C--O 1.235 0.339 0 CA-C-O 120.768 0.237 . . . . 2.04 111.769 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mm -57.14 -38.58 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.948 -0.569 . . . . 2.8 111.51 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.502 HD13 ' N ' ' A' ' 16' ' ' ALA . 3.6 pp -58.68 -29.88 66.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.027 -0.533 . . . . 2.67 112.049 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.502 ' N ' HD13 ' A' ' 15' ' ' LEU . . . -74.98 -28.59 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 1.51 111.238 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.867 HD21 ' HH ' ' A' ' 43' ' ' TYR . 67.0 t30 -70.7 -35.96 73.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.147 0.499 . . . . 2.85 110.045 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 22' ' ' MET . 37.2 t80 -76.23 -26.46 56.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.196 0.522 . . . . 1.72 110.171 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -67.14 -43.13 83.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 2.43 111.837 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.44 -32.72 74.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.066 0.46 . . . . 1.99 110.014 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.402 ' HZ3' ' O ' ' A' ' 39' ' ' ALA . 37.5 m0 -61.83 -39.06 90.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.703 -0.68 . . . . 1.36 110.659 176.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.531 ' HE1' ' HA ' ' A' ' 22' ' ' MET . 29.0 mmt -66.85 -39.66 87.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 2.03 110.347 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.91 -36.9 85.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.157 0.503 . . . . 3.79 110.415 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.98 ' HG3' ' HG3' ' A' ' 29' ' ' LYS . 38.1 ttm -74.24 -38.81 63.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.12 -0.491 . . . . 2.09 110.918 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.79 79.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 1.46 112.2 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.3 p -59.69 -45.69 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.047 0.451 . . . . 1.75 111.403 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.43 -0.52 57.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.792 -0.64 . . . . 2.5 110.669 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 t30 55.88 39.46 30.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.166 -0.924 . . . . 2.77 111.111 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.98 ' HG3' ' HG3' ' A' ' 24' ' ' MET . 18.5 ptmt -91.56 20.74 5.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.047 -0.524 . . . . 3.7 110.44 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 35' ' ' SER . 5.2 tt -80.18 114.74 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.604 -0.725 . . . . 1.4 110.084 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.409 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 45.0 m-80 -82.67 146.11 29.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.071 -0.513 . . . . 2.15 110.184 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.506 ' HA ' ' OG ' ' A' ' 35' ' ' SER . . . -62.51 -31.08 71.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.105 -0.498 . . . . 1.51 111.994 -173.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.31 75.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.899 0.38 . . . . 1.75 110.914 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.511 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 2.1 p-10 -111.42 13.56 21.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.41 -0.359 . . . . 1.45 111.662 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.506 ' OG ' ' HA ' ' A' ' 32' ' ' ALA . 69.5 m -63.96 -26.8 68.74 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.97 0.891 . . . . 1.76 108.745 171.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.436 ' O ' ' HB3' ' A' ' 37' ' ' ASN . 28.3 m95 -88.03 135.36 33.45 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.645 -1.161 . . . . 0.94 108.751 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' HB3' ' O ' ' A' ' 36' ' ' TRP . 28.7 t-20 80.23 0.25 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.768 1.293 . . . . 2.77 110.023 -171.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.511 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -105.17 23.39 13.73 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.867 -0.606 . . . . 2.08 109.733 172.369 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -70.23 119.44 14.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.246 -0.434 . . . . 1.52 111.128 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.623 HD12 HD13 ' A' ' 71' ' ' ILE . 7.2 mp -69.3 -25.24 64.13 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.875 -0.602 . . . . 2.26 110.926 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.435 ' HA ' ' HB3' ' A' ' 44' ' ' PHE . 9.7 tp -59.62 -28.82 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 2.48 111.799 -174.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.1 -47.71 84.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.119 0.485 . . . . 2.45 110.157 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.867 ' HH ' HD21 ' A' ' 17' ' ' ASN . 86.8 m-85 -84.62 -30.67 24.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.524 -0.762 . . . . 2.15 111.303 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' HB3' ' HA ' ' A' ' 41' ' ' ILE . 21.9 t80 -59.81 -33.42 71.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.407 -0.36 . . . . 2.68 110.658 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -23.46 67.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 1.84 110.894 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 47' ' ' MET . 12.9 t70 -100.54 1.02 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.581 . . . . 2.94 109.582 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.469 ' HE1' HD13 ' A' ' 154' ' ' LEU . 63.6 mtt 73.07 176.28 0.27 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.243 -0.889 . . . . 1.99 111.541 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.5 m -52.36 130.33 30.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.678 -0.692 . . . . 4.03 111.072 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 43' ' ' TYR . 4.6 mm? -66.98 -18.85 65.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 2.71 111.313 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.01 23.6 4.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.37 -0.377 . . . . 3.85 110.836 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -70.18 169.43 13.63 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.65 -0.5 . . . . 3.76 109.65 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -105.1 96.93 6.87 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.902 0.382 . . . . 2.55 110.338 -176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.74 -107.87 2.18 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.337 -0.705 . . . . 1.75 111.337 -175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -112.07 -2.8 14.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.431 -0.581 . . . . 2.87 109.431 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 t -88.89 149.66 23.24 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.585 -0.734 . . . . 2.03 109.129 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.55 131.36 71.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.577 0.703 . . . . 1.26 110.972 -173.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.669 ' HB2' ' HG2' ' A' ' 60' ' ' LYS . 6.3 m120 -80.41 113.85 18.88 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.948 -1.024 . . . . 2.33 108.381 177.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.478 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 47.4 m-85 -63.87 -11.26 26.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.417 -0.356 . . . . 1.02 111.076 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -72.54 -58.31 3.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.272 0.558 . . . . 1.97 110.014 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.669 ' HG2' ' HB2' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -68.89 -30.94 69.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.471 -0.786 . . . . 2.82 110.634 178.041 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.429 ' HB3' HD21 ' A' ' 154' ' ' LEU . . . -65.96 -38.08 87.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 1.25 110.203 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.0 t -57.68 -48.92 78.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.71 -0.677 . . . . 1.46 110.293 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.16 -40.64 96.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 1.79 110.838 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.2 m -63.03 -44.19 96.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 1.96 110.715 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.23 -50.45 73.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.016 0.436 . . . . 2.2 110.676 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.33 -40.39 86.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.642 . . . . 0.82 110.953 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.81 -35.67 90.0 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.849 -0.614 . . . . 0.61 112.518 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.4 m -62.52 -40.56 97.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.473 0.137 . . . . 1.93 110.892 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.31 -42.79 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 120.989 0.423 . . . . 2.13 110.628 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -60.91 -51.87 67.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.672 -0.694 . . . . 3.41 111.134 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.623 HD13 HD12 ' A' ' 40' ' ' LEU . 14.4 tt -72.39 -34.12 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.167 -0.469 . . . . 1.8 111.153 -176.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.457 ' HE1' ' O ' ' A' ' 140' ' ' VAL . 57.6 t80 -54.66 -53.31 56.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.953 0.406 . . . . 1.14 110.978 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.692 HG22 ' HB3' ' A' ' 185' ' ' LYS . 7.0 p -71.28 -28.83 64.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.086 -0.506 . . . . 1.34 111.378 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.9 m -70.4 -26.6 63.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.109 0.481 . . . . 1.89 110.461 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -72.57 -29.14 63.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.79 -0.448 . . . . 2.35 109.79 173.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.886 HG13 HG13 ' A' ' 192' ' ' ILE . 21.7 t -68.33 -40.24 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.613 0.72 . . . . 1.48 109.435 172.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.7 -36.85 72.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 1.87 109.829 171.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.9 m -69.89 -37.86 76.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.516 -0.765 . . . . 1.71 111.866 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.66 HG11 ' O ' ' A' ' 76' ' ' VAL . 13.9 p -63.93 -40.13 87.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 C-N-CA 120.41 -0.516 . . . . 2.02 110.553 -178.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.543 ' HB1' HG21 ' A' ' 192' ' ' ILE . . . -70.12 -31.71 69.38 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.558 -0.457 . . . . 1.45 111.265 176.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.4 m -59.8 -32.18 70.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.235 0.54 . . . . 2.29 110.094 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.578 ' CB ' ' HE3' ' A' ' 136' ' ' MET . 5.4 tp10 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 2.42 110.423 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.826 0.346 . . . . 4.91 110.769 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.534 ' HB2' ' HZ2' ' A' ' 129' ' ' LYS . 10.5 mtmp? -72.74 -41.91 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 5.02 111.728 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -25.88 68.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.527 -0.306 . . . . 3.16 111.343 -177.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 66.1 mtt -52.91 -46.12 67.89 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.923 -0.581 . . . . 3.96 111.442 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -72.95 -50.87 20.88 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.93 -0.308 . . . . 1.99 110.52 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 133' ' ' LEU . 4.1 mm? -59.75 -47.47 85.56 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.308 0.485 . . . . 2.57 112.308 -174.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.53 ' HB3' ' HZ3' ' A' ' 134' ' ' LYS . 7.4 ttpm? -62.93 -50.28 71.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 4.02 110.418 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -54.69 -46.6 74.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.452 -0.794 . . . . 1.92 111.389 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' MET . . . . . 0.578 ' HE3' ' CB ' ' A' ' 82' ' ' GLU . 33.5 mtp -66.13 -45.07 82.35 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.773 0.286 . . . . 1.63 111.773 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.528 ' HE3' HG22 ' A' ' 192' ' ' ILE . 11.8 mmt -61.59 -48.08 82.57 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.119 0.485 . . . . 1.97 110.336 175.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.0 -43.92 91.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.686 -0.688 . . . . 3.84 110.862 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 90.7 m -58.77 -48.59 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 1.61 111.868 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.606 ' HA ' ' HB2' ' A' ' 143' ' ' ASP . 16.7 m -70.46 -32.02 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 120.68 -0.408 . . . . 1.79 111.656 -178.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 137' ' ' MET . 69.8 mt -65.98 -47.77 73.45 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.325 -0.55 . . . . 2.05 110.308 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -62.85 -29.02 70.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.32 0.581 . . . . 3.34 109.983 175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 140' ' ' VAL . 0.2 OUTLIER -61.28 -47.43 86.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.217 -0.901 . . . . 1.64 110.052 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.418 ' HG3' ' HE3' ' A' ' 182' ' ' MET . 87.9 tttt -58.07 -41.63 83.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.659 -0.7 . . . . 2.41 110.441 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -60.31 -40.03 89.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.968 -0.56 . . . . 0.97 110.768 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -70.74 -37.39 73.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 3.26 110.67 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 151' ' ' ILE . 80.2 mt -58.28 -52.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.239 -0.437 . . . . 1.32 110.262 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.2 -37.69 78.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.179 -0.464 . . . . 2.39 110.787 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.75 -47.16 87.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 2.47 110.519 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 18.6 m -68.92 -36.28 77.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 1.44 110.872 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 147' ' ' ILE . 79.3 mt -58.48 -51.08 75.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-O 120.67 0.271 . . . . 1.68 110.437 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.14 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 1.24 110.787 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.733 ' O ' ' HG2' ' A' ' 156' ' ' GLU . 99.1 m -65.54 -42.1 92.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.934 -0.576 . . . . 1.27 111.174 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.469 HD13 ' HE1' ' A' ' 47' ' ' MET . 17.7 tp -72.8 -28.14 62.4 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 121.798 -0.564 . . . . 1.97 109.988 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 158' ' ' LYS . 13.1 t70 -67.6 -35.27 78.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.62 -0.718 . . . . 0.78 110.472 177.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.733 ' HG2' ' O ' ' A' ' 153' ' ' THR . 10.4 pt-20 -75.09 -25.9 58.89 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.768 0.318 . . . . 2.52 110.249 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.446 ' HD2' ' O ' ' A' ' 153' ' ' THR . 12.3 m-85 -66.65 -44.71 81.19 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.335 -0.617 . . . . 1.28 109.335 169.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.493 ' HD3' ' HD2' ' A' ' 171' ' ' PHE . 24.6 ttpp -56.83 -37.41 71.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.014 -0.994 . . . . 2.51 110.22 176.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -60.56 -46.27 90.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 4.22 110.983 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -57.6 -50.11 74.2 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.278 -0.419 . . . . 3.38 111.022 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -77.01 97.71 4.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.995 0.426 . . . . 1.97 110.715 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 20.3 m -95.66 164.98 12.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.292 -0.413 . . . . 4.06 111.046 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 69.95 -155.37 53.19 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.923 -0.581 . . . . 3.39 112.374 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -101.75 33.27 6.63 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.987 -0.625 . . . . 3.62 111.541 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.1 p -76.49 -25.6 54.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.789 0.328 . . . . 3.61 111.123 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -143.79 -172.47 3.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.099 -0.5 . . . . 4.07 110.099 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.81 41.28 2.35 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.086 -0.578 . . . . 1.78 112.273 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 27.1 m -57.01 -51.55 68.79 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.395 0.678 . . . . 2.0 111.994 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -73.15 -33.89 65.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.827 0.346 . . . . 4.19 110.494 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' MET . . . . . 0.412 ' HE2' ' HB3' ' A' ' 170' ' ' MET . 13.7 tmm? -65.63 -41.37 92.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 1.53 110.502 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.493 ' HD2' ' HD3' ' A' ' 158' ' ' LYS . 40.9 t80 -67.91 -35.48 78.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.99 110.584 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 176' ' ' GLU . 30.1 tt0 -66.39 -43.71 85.1 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.707 -0.479 . . . . 2.38 109.707 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 177' ' ' LYS . 56.1 m-20 -56.82 -42.91 80.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.758 -0.655 . . . . 2.29 109.865 173.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -62.91 -45.28 93.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.553 -0.749 . . . . 4.06 111.388 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -55.4 -47.0 76.55 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.112 0.257 . . . . 1.78 110.993 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 172' ' ' GLU . 28.5 mt-10 -52.9 -50.63 63.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.496 0.665 . . . . 1.35 110.387 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 173' ' ' ASP . 40.4 mmtm -67.95 -36.36 79.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.912 -1.04 . . . . 2.5 110.986 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -64.82 -51.31 62.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.366 -0.379 . . . . 1.48 110.763 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.81 -31.07 72.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 2.23 110.801 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 88.1 tttt -70.48 -51.18 30.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.513 . . . . 3.56 110.37 178.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 25.6 m -63.6 -34.47 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.101 0.477 . . . . 1.74 110.434 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' MET . . . . . 0.418 ' HE3' ' HG3' ' A' ' 144' ' ' LYS . 24.4 ttt -65.62 -34.29 77.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 1.17 110.239 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -75.44 -30.0 59.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 1.26 110.532 177.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 180' ' ' LYS . 74.6 mmtt -69.18 -46.64 66.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 3.33 110.282 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.692 ' HB3' HG22 ' A' ' 73' ' ' THR . 74.9 mmtt -77.8 -11.0 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.137 -0.483 . . . . 2.71 110.727 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' ASP . . . . . 0.511 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 9.0 t70 -58.78 -34.15 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 1.16 111.573 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 184' ' ' LYS . 4.6 pp -62.93 -23.93 67.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.536 -0.302 . . . . 3.01 110.746 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' LYS . . . . . 0.433 ' O ' HG12 ' A' ' 192' ' ' ILE . 26.1 mtpp -73.58 -38.04 65.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.439 -0.346 . . . . 3.19 110.67 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.805 ' HA ' HG11 ' A' ' 76' ' ' VAL . 59.6 tp -64.37 -44.44 91.36 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.162 0.506 . . . . 1.95 110.024 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.08 -28.52 62.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.72 110.781 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' GLU . . . . . 0.47 ' O ' HD12 ' A' ' 195' ' ' LEU . 41.5 tt0 -65.9 -47.86 73.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.541 -0.299 . . . . 2.86 110.227 174.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' ILE . . . . . 0.886 HG13 HG13 ' A' ' 76' ' ' VAL . 31.0 mm -59.49 -38.21 74.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 1.6 111.128 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 196' ' ' LEU . 27.5 p -75.73 -31.05 59.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 2.11 110.754 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.89 -35.93 82.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.413 0.625 . . . . 3.84 109.885 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 191' ' ' GLU . 7.7 mp -72.93 -32.87 65.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 4.02 110.087 174.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.452 HD23 ' HE1' ' A' ' 137' ' ' MET . 31.4 tp . . . . . 0 N--CA 1.469 0.516 0 C-N-CA 123.517 0.727 . . . . 3.89 110.704 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.272 -0.331 . . . . 21.59 112.272 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -125.05 145.02 50.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.925 0.393 . . . . 21.37 110.812 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 50.0 tpp -81.09 -33.31 33.43 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.389 -0.597 . . . . 18.72 109.389 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -95.63 114.8 26.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.723 -0.671 . . . . 18.04 110.157 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -113.48 -178.42 3.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.835 -0.62 . . . . 14.86 110.231 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.13 153.08 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.491 -0.322 . . . . 12.67 110.503 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 p -64.67 149.05 96.35 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.075 -0.511 . . . . 10.33 111.472 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.33 26.11 0.56 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.127 2.552 . . . . 9.43 112.818 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -64.66 152.28 42.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.126 -0.488 . . . . 8.64 111.339 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 tptm 68.5 105.39 0.05 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.203 -0.908 . . . . 7.1 111.937 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.55 164.26 16.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.654 . . . . 6.84 110.177 176.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.85 109.74 34.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.515 -0.55 . . . . 3.56 109.515 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.5 140.02 85.01 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.736 2.291 . . . . 2.04 112.147 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.4 mm -59.56 -37.46 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 2.8 109.774 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.669 ' HA ' HD12 ' A' ' 49' ' ' LEU . 96.1 mt -58.33 -42.28 86.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.788 -0.642 . . . . 2.67 110.351 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.79 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.989 -0.551 . . . . 1.51 111.115 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.712 HD21 ' HH ' ' A' ' 43' ' ' TYR . 6.7 t30 -65.58 -34.33 77.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.302 0.572 . . . . 2.85 110.036 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' O ' ' HG2' ' A' ' 22' ' ' MET . 73.0 t80 -69.84 -40.32 75.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.87 -0.605 . . . . 1.72 109.991 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 54.4 mm-40 -61.5 -46.15 91.22 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.947 -0.569 . . . . 2.43 111.729 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 24' ' ' MET . 11.0 pt-20 -64.02 -40.77 97.08 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.043 -0.263 . . . . 1.99 110.482 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -60.32 -40.47 90.69 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.424 -0.353 . . . . 1.36 110.887 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 28.1 mmt -64.67 -46.06 84.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.101 -0.5 . . . . 2.03 110.19 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -59.39 -41.45 89.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 3.79 110.598 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.659 ' HA ' ' HB3' ' A' ' 29' ' ' LYS . 85.4 mmm -61.56 -50.15 73.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.778 -0.647 . . . . 2.09 110.669 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.16 62.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.575 0.583 . . . . 1.46 112.575 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -66.04 -40.33 90.9 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.379 0.511 . . . . 1.75 112.379 -172.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 5.62 47.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.112 -0.495 . . . . 2.5 111.719 -173.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 59.74 25.49 14.5 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.552 0.691 . . . . 2.77 109.774 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.659 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 87.1 tttt -75.81 -24.72 55.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.021 -0.991 . . . . 3.7 110.026 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 24' ' ' MET . 10.7 tt -71.07 101.69 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.31 -0.859 . . . . 1.4 110.946 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -68.37 165.36 18.9 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.989 -0.551 . . . . 2.15 110.227 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.56 66.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.709 0.633 . . . . 1.51 112.709 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.06 -33.21 70.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.552 . . . . 1.75 111.19 -177.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -110.9 16.37 21.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.699 -0.682 . . . . 1.45 111.346 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.472 ' HA ' HD11 ' A' ' 30' ' ' ILE . 96.1 p -71.86 -12.08 61.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.344 -0.984 . . . . 1.76 108.344 172.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -85.55 159.41 19.9 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 114.121 -1.4 . . . . 0.94 109.72 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 69.06 0.71 2.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.193 -0.912 . . . . 2.77 110.834 -171.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -107.83 101.29 10.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.208 -0.451 . . . . 2.08 109.893 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.21 118.46 19.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.99 0.424 . . . . 1.52 110.399 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD22 ' HE2' ' A' ' 22' ' ' MET . 8.1 mp -71.22 -17.5 62.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.895 -0.593 . . . . 2.26 110.726 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.444 HD11 HG12 ' A' ' 147' ' ' ILE . 48.6 mm -57.4 -28.98 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.456 -0.793 . . . . 2.48 111.232 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.06 -46.17 68.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.05 0.452 . . . . 2.45 110.624 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.712 ' HH ' HD21 ' A' ' 17' ' ' ASN . 84.5 m-85 -83.86 -30.34 26.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.697 -0.683 . . . . 2.15 110.712 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.489 ' HA ' HD22 ' A' ' 50' ' ' LEU . 1.4 t80 -72.16 -46.52 56.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.595 -0.729 . . . . 2.68 110.518 -172.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -53.27 27.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.0 -0.545 . . . . 1.84 110.549 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -96.33 96.51 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.94 109.521 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.691 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . 66.9 mtt -67.78 85.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.82 -0.627 . . . . 1.99 111.125 -176.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -109.9 -70.75 0.79 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.49 -0.777 . . . . 4.03 110.291 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 15' ' ' LEU . 10.0 tt -66.73 -44.1 82.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.513 -0.767 . . . . 2.71 111.251 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 44' ' ' PHE . 2.2 pp -85.8 0.53 52.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.14 0.422 . . . . 3.85 112.14 -174.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.691 ' HB2' ' HB3' ' A' ' 47' ' ' MET . 39.2 ttpt -104.5 125.09 50.35 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.84 -0.43 . . . . 3.76 109.84 177.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -99.69 91.21 4.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.126 0.489 . . . . 2.55 110.019 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.73 -132.52 11.2 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.639 -0.71 . . . . 1.75 111.996 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -89.64 -4.61 57.71 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.061 0.458 . . . . 2.87 110.949 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.0 p -134.45 160.1 39.03 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.166 -0.47 . . . . 2.03 109.936 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 50' ' ' LEU . 11.2 p -108.86 128.94 64.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 122.049 0.928 . . . . 1.26 109.983 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.493 ' C ' ' H ' ' A' ' 59' ' ' GLN . 51.0 t-20 -71.88 121.61 19.34 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 106.686 -1.598 . . . . 2.33 106.686 172.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.742 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 30.4 m-85 -66.36 3.51 0.92 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.117 0.485 . . . . 1.02 110.872 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 57' ' ' ASN . 9.0 tt0 -72.43 -49.21 35.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.684 -1.228 . . . . 1.97 107.684 172.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 43.7 mmtm -60.38 -46.92 88.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.38 -1.282 . . . . 2.82 109.716 173.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -59.8 -47.46 85.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.379 -0.828 . . . . 1.25 111.659 -177.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.723 ' HB3' ' HG2' ' A' ' 174' ' ' ARG . 51.6 m -66.44 -46.21 77.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.732 0.301 . . . . 1.46 111.063 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.84 -45.23 90.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 1.79 110.948 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 m -71.28 -38.38 71.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 1.96 111.103 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.4 -46.16 84.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.729 0.3 . . . . 2.2 110.445 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.46 -50.74 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.82 110.679 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.62 -33.62 86.68 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.956 -0.565 . . . . 0.61 112.241 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.63 -44.73 95.54 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 110.367 -0.235 . . . . 1.93 110.367 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 178' ' ' ALA . 86.6 t -60.86 -37.56 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.007 0.432 . . . . 2.13 110.412 177.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -64.16 -51.51 63.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.803 -0.635 . . . . 3.41 111.108 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.8 tt -72.7 -35.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.719 0.295 . . . . 1.8 111.275 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 1.017 ' HH ' ' HB2' ' A' ' 144' ' ' LYS . 68.4 t80 -58.48 -47.44 84.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.068 0.461 . . . . 1.14 110.799 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 p -75.71 -25.46 56.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.059 -0.519 . . . . 1.34 111.425 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.1 m -70.62 -36.86 73.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.878 0.37 . . . . 1.89 110.057 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -65.22 -46.88 78.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 2.35 111.669 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.901 HG22 ' HG ' ' A' ' 189' ' ' LEU . 12.7 p -62.38 -35.01 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.279 0.561 . . . . 1.48 109.995 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.5 -37.37 83.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 1.87 110.374 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.1 m -65.87 -31.12 71.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 1.71 111.262 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.515 HG11 ' SD ' ' A' ' 137' ' ' MET . 13.7 t -62.25 -50.22 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.491 -0.559 . . . . 2.02 109.491 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.99 78.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.7 -0.682 . . . . 1.45 110.741 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.3 m -61.37 -48.3 81.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.046 0.451 . . . . 2.29 110.593 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.76 -34.12 76.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 2.42 110.09 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.1 m -57.48 -41.68 81.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 3.15 110.172 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.04 -29.39 75.26 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.744 -0.662 . . . . 4.2 112.216 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -72.74 -32.65 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 4.88 110.214 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 98.5 mt -67.19 -44.02 80.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 5.71 109.995 175.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.45 -36.32 83.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.767 -0.652 . . . . 6.68 110.366 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -58.77 -47.95 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.694 . . . . 8.18 110.27 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.93 -34.16 89.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.078 -0.582 . . . . 8.78 112.383 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.513 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 93.6 mt -65.81 -56.05 13.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.73 0.3 . . . . 8.69 110.498 177.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.72 69.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.964 -0.562 . . . . 10.13 111.447 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -59.24 -38.45 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.041 -0.527 . . . . 12.11 111.121 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.4 m -90.97 4.71 51.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.178 -0.464 . . . . 11.83 111.02 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 90' ' ' LEU . 25.6 mmm180 -102.6 -0.62 31.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.391 -0.368 . . . . 11.37 110.788 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -83.5 136.76 34.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.95 0.405 . . . . 13.64 110.947 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t -135.57 16.38 3.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.696 -0.684 . . . . 13.75 109.535 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -80.48 -26.47 38.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.803 -0.635 . . . . 16.47 110.971 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -74.05 134.73 43.0 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.631 -0.507 . . . . 14.75 109.631 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -62.82 147.44 50.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.936 -0.394 . . . . 17.05 109.936 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.86 112.21 2.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.006 0.432 . . . . 14.47 110.677 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.6 mtp-105 -82.64 -41.3 19.61 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 109.221 -0.659 . . . . 18.27 109.221 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -131.03 129.57 42.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.969 -1.014 . . . . 15.08 109.72 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.55 -54.25 7.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.933 0.397 . . . . 16.29 110.538 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.83 -12.62 45.9 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.547 -0.835 . . . . 14.8 112.271 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.39 -78.43 1.32 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.724 -0.751 . . . . 16.02 111.757 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.65 -108.23 2.57 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.049 -0.596 . . . . 15.61 111.745 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.6 t -75.1 117.38 16.87 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.097 0.475 . . . . 16.05 109.86 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.48 179.29 40.47 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.83 -0.623 . . . . 16.77 112.809 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.22 17.16 69.96 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.789 -0.719 . . . . 17.38 112.224 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.6 m -78.81 111.28 14.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.964 -0.384 . . . . 18.07 109.964 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.0 mt -82.02 104.96 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.829 -0.623 . . . . 17.15 110.907 -175.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -87.16 149.52 24.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.652 -0.704 . . . . 15.45 109.965 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -92.08 172.69 8.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.368 -0.378 . . . . 17.85 110.684 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -171.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.783 -0.644 . . . . 14.83 110.923 178.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 45.8 mt -58.83 101.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.083 0.468 . . . . 12.01 110.646 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -81.84 140.54 47.06 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.032 -0.531 . . . . 11.89 110.345 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.583 ' O ' ' HG2' ' A' ' 120' ' ' MET . 12.1 Cg_endo -55.14 -30.61 71.69 Favored 'Trans proline' 0 CA--C 1.527 0.163 0 C-N-CA 123.274 2.649 . . . . 11.3 112.988 -176.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -60.53 -20.79 61.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.866 0.321 . . . . 11.18 111.866 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.636 HG13 ' HD2' ' A' ' 212' ' ' ARG . 53.6 t -60.13 -46.17 94.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 8.95 110.881 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' A' ' 117' ' ' PRO . 13.5 ptp -68.95 -32.88 72.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 9.07 110.504 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.552 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 43.9 m-80 -67.38 -24.04 65.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.652 -0.703 . . . . 7.57 111.471 -176.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 15.8 tpt -65.44 -37.85 88.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.238 0.542 . . . . 7.62 109.628 174.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.68 HD13 ' HG3' ' A' ' 212' ' ' ARG . 11.9 mt -70.83 -28.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.741 -0.663 . . . . 5.77 110.611 177.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' A' ' 121' ' ' ASN . 0.9 OUTLIER -52.53 -35.48 53.46 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.82 0.343 . . . . 4.81 111.163 175.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.6 m -67.7 -33.28 74.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.328 0.585 . . . . 4.31 110.398 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 130' ' ' GLU . 59.7 t -64.76 -40.97 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.503 -0.771 . . . . 4.22 110.029 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.407 ' HG2' HD11 ' A' ' 204' ' ' LEU . 41.9 mt-10 -56.7 -37.94 71.62 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.111 -0.495 . . . . 4.32 110.881 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -62.18 -39.07 91.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.825 -0.625 . . . . 4.91 110.646 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -67.23 -46.82 72.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.797 -0.638 . . . . 5.02 110.166 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.827 ' HG3' HD13 ' A' ' 204' ' ' LEU . 6.2 mm-40 -55.87 -50.23 71.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.659 -0.7 . . . . 3.16 110.512 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 67.1 mtt -61.78 -37.99 86.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.398 -0.819 . . . . 3.96 111.156 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 m -67.94 -34.57 76.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.673 -0.24 . . . . 1.99 110.773 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.408 HD23 HD13 ' A' ' 86' ' ' LEU . 4.1 mm? -68.03 -41.51 81.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.858 0.361 . . . . 2.57 110.496 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -61.37 -49.16 78.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.511 . . . . 4.02 110.047 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -61.97 -31.89 72.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.378 -0.828 . . . . 1.92 110.92 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 39.3 tpp -61.13 -53.21 59.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.188 -0.46 . . . . 1.63 110.072 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.544 ' HE2' HG23 ' A' ' 76' ' ' VAL . 87.1 mmm -65.58 -36.13 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.731 -0.668 . . . . 1.97 110.538 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.66 -39.64 81.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 3.84 110.199 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 68.6 m -65.83 -44.39 85.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.06 -0.518 . . . . 1.61 110.533 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.458 HG12 ' HB ' ' A' ' 76' ' ' VAL . 73.3 t -59.85 -46.25 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.017 0.437 . . . . 1.79 110.786 178.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 137' ' ' MET . 81.1 mt -65.65 -34.99 79.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 2.05 110.605 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.618 ' HG2' ' HE2' ' A' ' 146' ' ' LYS . 38.7 ttmt -61.3 -44.28 97.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.698 -0.683 . . . . 3.34 110.341 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 147' ' ' ILE . 1.1 m-20 -58.57 -41.17 85.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.127 -0.488 . . . . 1.64 110.537 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 1.017 ' HB2' ' HH ' ' A' ' 72' ' ' TYR . 37.4 ttpt -56.13 -47.76 77.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 2.41 111.317 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.461 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 37.7 m80 -61.88 -37.95 86.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.138 0.494 . . . . 0.97 110.083 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.618 ' HE2' ' HG2' ' A' ' 142' ' ' LYS . 68.0 mttm -67.08 -37.4 83.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.695 -0.684 . . . . 3.26 111.176 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 143' ' ' ASP . 72.5 mt -59.98 -48.01 89.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.768 -0.456 . . . . 1.32 109.768 175.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.41 -44.96 85.02 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.47 -0.786 . . . . 2.39 111.056 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 46.4 mt-10 -60.32 -44.91 95.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.105 0.479 . . . . 2.47 110.887 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.5 m -70.51 -43.45 69.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.901 -0.59 . . . . 1.44 112.095 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 34.5 pt -63.28 -33.48 61.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.682 -0.407 . . . . 1.68 110.201 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.05 95.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.335 -0.393 . . . . 1.24 110.602 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 37.3 m -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.057 0.456 . . . . 1.27 110.684 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 70.7 mt -64.56 -33.28 75.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.028 -0.533 . . . . 1.97 110.726 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.89 -31.81 71.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.966 -0.561 . . . . 0.78 109.927 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.13 -43.84 90.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.955 -0.566 . . . . 2.52 110.219 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -59.34 -40.78 87.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 1.28 110.368 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.502 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 27.6 ttpp -70.29 -20.59 63.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.922 -0.581 . . . . 2.51 110.891 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -84.85 -38.71 19.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.976 0.417 . . . . 4.22 110.257 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.19 -42.6 55.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.074 -0.512 . . . . 3.38 111.16 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -80.95 134.17 35.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.908 0.385 . . . . 1.97 110.938 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 37.5 m -81.27 -27.39 35.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.066 -0.516 . . . . 4.06 110.705 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 128.16 43.1 0.24 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.685 -0.769 . . . . 3.39 112.101 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -78.05 -86.09 0.48 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.779 -0.724 . . . . 3.62 111.937 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 50.2 m -94.3 -27.85 15.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.978 0.418 . . . . 3.61 110.865 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . 0.406 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . . . -81.62 127.19 32.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.138 -0.483 . . . . 4.07 110.209 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -78.26 75.25 1.95 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.062 -0.59 . . . . 1.78 112.011 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.502 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 24.5 p -59.05 -44.39 91.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.967 0.413 . . . . 2.0 111.342 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -68.03 -41.28 82.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.942 -0.572 . . . . 4.19 110.573 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 60.9 ttp -63.22 -44.75 94.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 1.53 110.573 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.742 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 83.1 t80 -67.04 -34.67 78.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.99 111.158 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -54.55 -56.08 22.67 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.293 0.568 . . . . 2.38 110.176 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 177' ' ' LYS . 19.4 t70 -67.62 -31.71 71.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 2.29 111.277 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.723 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 4.7 tpt180 -74.54 -39.56 62.25 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.956 -0.298 . . . . 4.06 110.867 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 22.2 ttmt -59.55 -55.58 32.75 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.861 0.362 . . . . 1.78 110.091 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.56 -33.6 74.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.809 -0.632 . . . . 1.35 110.933 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . 0.684 ' HB2' ' HZ1' ' A' ' 177' ' ' LYS . 0.1 OUTLIER -66.26 -45.22 81.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 2.5 109.952 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.477 ' HB3' HG23 ' A' ' 69' ' ' VAL . . . -68.77 -39.71 80.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.832 -0.622 . . . . 1.48 110.769 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 80.5 mt -67.18 -28.26 67.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 2.23 111.115 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -69.28 -43.72 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.757 -0.46 . . . . 3.56 109.757 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 32.2 m -65.54 -36.87 85.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.24 0.543 . . . . 1.74 110.134 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 25.2 ttt -63.99 -40.9 97.43 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.63 -0.714 . . . . 1.17 110.315 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -69.32 -35.27 75.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 1.26 111.116 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -58.27 -55.93 28.58 Favored 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 123.293 0.637 . . . . 3.33 111.025 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -77.36 -11.03 59.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.049 -0.523 . . . . 2.71 111.236 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 18.2 t70 -61.25 -33.71 73.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.25 -0.432 . . . . 1.16 110.334 177.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.37 -37.82 87.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.79 -0.641 . . . . 3.01 110.242 176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 192' ' ' ILE . 84.8 tttt -73.67 -42.32 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 3.19 110.171 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.901 ' HG ' HG22 ' A' ' 76' ' ' VAL . 9.5 tt -61.54 -51.16 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.957 -0.565 . . . . 1.95 110.856 -178.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.18 -34.68 78.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.016 -0.273 . . . . 2.72 110.614 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 7.3 tp10 -60.22 -51.7 68.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 2.86 110.219 177.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 188' ' ' LYS . 85.1 mt -56.32 -45.56 81.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.149 -0.478 . . . . 1.6 110.58 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 11.0 m -57.17 -47.75 80.44 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.05 -0.523 . . . . 2.11 110.943 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -67.44 -46.26 73.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.792 -0.64 . . . . 3.84 110.725 -176.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 83.2 mt -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.804 0.335 . . . . 4.02 110.739 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.534 ' HA ' HD13 ' A' ' 200' ' ' ILE . 15.9 tp -57.26 -46.09 83.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.475 0.655 . . . . 3.89 109.934 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -78.08 -26.71 48.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.565 -0.743 . . . . 6.49 110.577 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' ASP . . . . . 0.462 ' HB3' ' HA ' ' A' ' 195' ' ' LEU . 14.6 t70 -75.79 -51.54 12.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.369 -0.832 . . . . 4.3 112.26 -176.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -117.94 -35.88 3.77 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.025 0.38 . . . . 5.29 112.025 -172.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 196' ' ' LEU . 2.0 mp -69.62 -40.43 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 111.801 0.297 . . . . 3.27 111.801 -174.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.479 ' HB2' ' HD3' ' A' ' 202' ' ' PRO . 31.0 mt-10 -68.68 -49.08 30.18 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 120.411 -0.516 . . . . 6.5 112.015 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' PRO . . . . . 0.479 ' HD3' ' HB2' ' A' ' 201' ' ' GLU . 39.6 Cg_exo -60.69 -16.34 42.9 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.088 1.859 . . . . 7.52 112.812 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 200' ' ' ILE . 1.7 tmmm? -52.69 -39.39 61.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.252 -0.431 . . . . 7.15 110.447 177.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.827 HD13 ' HG3' ' A' ' 130' ' ' GLU . 5.2 tt -67.59 -41.28 84.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.307 -0.406 . . . . 6.12 110.216 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.76 -43.05 94.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.086 -0.506 . . . . 9.31 110.901 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -71.74 -30.72 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.439 -0.346 . . . . 10.86 110.592 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.04 -47.36 85.49 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.254 0.55 . . . . 7.6 109.684 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -59.81 -44.26 94.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.067 -0.97 . . . . 9.74 110.226 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -69.24 -49.77 53.26 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.195 0.443 . . . . 13.37 112.195 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.3 -54.73 15.47 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.039 0.385 . . . . 11.25 112.039 -175.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' LYS . . . . . 0.603 ' HD2' HD13 ' A' ' 215' ' ' LEU . 22.6 tptm -78.55 -57.08 3.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.907 0.384 . . . . 10.09 111.36 -173.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.68 ' HG3' HD13 ' A' ' 123' ' ' ILE . 27.1 mmt180 -83.24 -56.25 3.88 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.798 0.666 . . . . 12.99 112.798 -170.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' A' ' 217' ' ' PHE . . . -59.41 -45.77 90.57 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.004 0.372 . . . . 13.26 112.004 -174.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -74.44 -54.21 8.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.373 -0.376 . . . . 14.02 111.522 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.603 HD13 ' HD2' ' A' ' 211' ' ' LYS . 94.6 mt -79.02 -60.64 2.3 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.392 0.516 . . . . 11.97 112.392 -173.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -78.79 -47.89 15.86 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.507 0.558 . . . . 12.73 112.507 -172.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 213' ' ' ALA . 38.2 t80 -66.94 -53.91 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 14.13 111.247 -174.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . 0.448 HE21 ' HD1' ' A' ' 217' ' ' PHE . 27.3 mm-40 -82.98 138.67 33.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.808 0.337 . . . . 15.76 111.09 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -70.08 160.53 31.86 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.605 -0.517 . . . . 15.78 109.605 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 50.6 p 50.83 85.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.774 0.671 . . . . 17.94 111.337 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . 0.421 ' H ' ' HG2' ' A' ' 221' ' ' GLN . 2.3 pt20 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.856 -0.592 . . . . 17.45 111.007 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.098 -0.401 . . . . 21.59 112.098 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.1 m80 67.28 -81.82 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.197 0.599 . . . . 21.37 111.218 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 46.7 tpp -159.66 117.64 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.505 . . . . 18.72 109.956 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -122.97 160.89 25.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.411 -0.359 . . . . 18.04 110.678 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.65 118.16 7.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.309 -0.405 . . . . 14.86 110.697 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.84 139.23 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.097 -0.501 . . . . 12.67 110.535 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 7.4 p -61.4 130.81 92.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.096 -0.502 . . . . 10.33 111.257 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 7' ' ' THR . 4.1 Cg_exo -77.22 -8.84 17.64 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.193 2.596 . . . . 9.43 112.262 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.0 mmt -74.42 129.71 38.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.781 -0.645 . . . . 8.64 109.415 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 33.8 mmtp -81.94 -1.62 48.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.642 0.734 . . . . 7.1 110.754 -176.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -105.44 121.24 43.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.722 -1.126 . . . . 6.84 108.306 171.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -73.54 117.25 59.07 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-O 121.115 0.483 . . . . 3.56 110.969 -175.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.85 137.88 42.95 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.567 2.178 . . . . 2.04 111.499 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.581 HG13 HD21 ' A' ' 49' ' ' LEU . 34.9 pt -68.49 -16.94 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.563 -0.289 . . . . 2.8 111.31 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -61.03 -44.76 96.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.917 0.389 . . . . 2.67 110.234 170.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.656 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . . . -74.84 -29.59 61.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.74 -0.663 . . . . 1.51 110.435 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 31.1 t30 -66.6 -43.33 85.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.707 -0.679 . . . . 2.85 110.0 174.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -71.69 -42.1 67.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 1.72 111.434 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.656 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 11.4 pt-20 -64.72 -32.45 74.14 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.903 -0.319 . . . . 2.43 110.173 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 24' ' ' MET . 7.0 tp10 -61.94 -46.39 89.51 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.332 -0.618 . . . . 1.99 109.332 175.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 39.3 m0 -59.91 -47.08 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.723 -0.671 . . . . 1.36 111.002 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.556 ' HA ' ' HE2' ' A' ' 22' ' ' MET . 29.6 mmt -59.59 -41.9 91.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 2.03 110.804 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -66.38 -50.64 62.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 3.79 110.524 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.554 ' HB2' ' HZ ' ' A' ' 38' ' ' PHE . 79.2 mtp -63.04 -34.97 78.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 2.09 111.597 -178.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.4 -49.94 61.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.75 0.31 . . . . 1.46 111.156 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 p -71.42 -36.36 71.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.332 -0.394 . . . . 1.75 111.856 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.91 -5.54 57.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.945 0.403 . . . . 2.5 110.841 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 63.55 25.45 14.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.627 0.727 . . . . 2.77 110.414 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 24.3 tptm -74.62 -20.52 59.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.935 -1.029 . . . . 3.7 109.423 176.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 tt -65.64 92.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.739 0.78 . . . . 1.4 110.771 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -75.48 168.36 20.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 2.15 110.294 174.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.09 76.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.257 -0.429 . . . . 1.51 111.623 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.48 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.792 0.293 . . . . 1.75 111.792 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.509 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -104.68 14.22 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.155 0.428 . . . . 1.45 112.155 -178.458 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.0 p -65.98 -27.31 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.134 -1.061 . . . . 1.76 108.134 170.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -75.28 140.56 43.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.738 -1.119 . . . . 0.94 109.261 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 68.25 11.82 8.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.068 -0.969 . . . . 2.77 111.164 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.554 ' HZ ' ' HB2' ' A' ' 24' ' ' MET . 1.8 t80 -91.82 7.2 42.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.135 0.493 . . . . 2.08 110.167 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.21 122.03 20.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.357 0.599 . . . . 1.52 112.336 -172.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.414 HD21 ' HE3' ' A' ' 22' ' ' MET . 10.5 mp -70.55 -17.02 62.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.355 -0.839 . . . . 2.26 110.514 173.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 147' ' ' ILE . 7.3 tp -57.13 -30.19 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 115.569 -0.741 . . . . 2.48 112.311 -172.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.92 -35.5 81.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.56 0.695 . . . . 2.45 110.092 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -83.18 -27.94 29.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.03 -0.986 . . . . 2.15 110.485 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' HD2' HD13 ' A' ' 41' ' ' ILE . 19.5 m-30 -63.0 -34.55 77.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 2.68 110.737 173.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -75.79 -57.15 4.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 1.84 110.735 175.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -84.61 85.26 7.44 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.184 -0.673 . . . . 2.94 109.184 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.514 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 63.1 mtt -71.29 83.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.807 -0.633 . . . . 1.99 111.88 -171.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -110.6 -44.14 3.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.668 -0.696 . . . . 4.03 109.293 172.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.581 HD21 HG13 ' A' ' 14' ' ' ILE . 89.7 mt -90.15 -33.03 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 2.71 111.2 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 56' ' ' VAL . 53.2 tp -76.34 -36.15 58.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.314 0.578 . . . . 3.85 110.398 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.514 ' CB ' ' HB3' ' A' ' 47' ' ' MET . 27.2 ttpp -97.92 123.7 42.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 3.76 110.164 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.02 96.9 8.8 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.842 -0.799 . . . . 2.55 108.842 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.0 -115.47 4.37 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.937 -0.649 . . . . 1.75 111.629 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -118.32 10.34 12.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.879 0.371 . . . . 2.87 110.864 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.1 t -138.55 144.86 40.07 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.882 -0.784 . . . . 2.03 108.882 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 50' ' ' LEU . 14.4 p -95.91 131.19 43.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.719 0.771 . . . . 1.26 110.487 -178.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' HB2' ' HE3' ' A' ' 60' ' ' LYS . 12.0 m120 -84.15 106.26 15.65 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.752 -1.113 . . . . 2.33 108.603 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.587 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 94.3 m-85 -66.4 -7.31 18.45 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.827 -0.624 . . . . 1.02 111.163 -174.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.26 -57.34 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.089 -0.708 . . . . 1.97 109.089 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 18.5 ptpt -65.43 -30.65 71.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.4 -0.818 . . . . 2.82 109.954 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.587 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -62.15 -40.18 95.1 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.237 -0.438 . . . . 1.25 110.593 175.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m -62.16 -44.41 96.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.46 110.759 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.63 -46.13 70.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.985 -0.552 . . . . 1.79 110.937 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.8 p -68.33 -36.83 79.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.133 -0.485 . . . . 1.96 111.617 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -47.27 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.793 -0.447 . . . . 2.2 109.793 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.87 -40.06 91.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.031 0.444 . . . . 0.82 110.952 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.29 -45.35 80.81 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.481 -0.866 . . . . 0.61 111.916 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.413 ' HA ' HG12 ' A' ' 71' ' ' ILE . 33.0 t -64.94 -38.43 90.93 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.305 0.113 . . . . 1.93 111.305 -177.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.19 -36.31 72.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 120.701 -0.399 . . . . 2.13 110.786 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -68.11 -46.17 71.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.754 0.311 . . . . 3.41 110.665 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.479 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 42.9 pt -70.99 -32.98 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.958 -0.297 . . . . 1.8 110.952 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.565 ' HA ' ' HD3' ' A' ' 75' ' ' ARG . 74.6 t80 -57.63 -49.8 75.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.153 0.501 . . . . 1.14 110.289 175.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.9 p -70.46 -25.61 63.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.929 -0.578 . . . . 1.34 110.684 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.1 t -67.53 -26.97 66.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.106 0.479 . . . . 1.89 109.921 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.565 ' HD3' ' HA ' ' A' ' 72' ' ' TYR . 65.5 mtp180 -73.32 -32.72 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.55 -0.537 . . . . 2.35 109.55 174.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.642 HG13 HD12 ' A' ' 192' ' ' ILE . 62.3 t -66.96 -37.23 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.911 -0.586 . . . . 1.48 109.579 172.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.26 -31.95 73.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.16 -0.473 . . . . 1.87 110.188 171.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -67.19 -46.44 73.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.606 . . . . 1.71 111.088 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.85 -33.91 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.596 -0.442 . . . . 2.02 110.43 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.404 ' HA ' ' OG1' ' A' ' 83' ' ' THR . . . -70.16 -30.56 67.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.137 0.494 . . . . 1.45 110.621 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 88.6 m -65.45 -37.31 86.5 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.417 -0.586 . . . . 2.29 109.417 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.477 ' HG3' ' HE1' ' A' ' 136' ' ' MET . 17.9 mm-40 -68.82 -43.09 76.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.674 -0.693 . . . . 2.42 110.676 176.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.857 HG22 HD11 ' A' ' 133' ' ' LEU . 63.7 p -66.22 -38.37 87.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.493 -0.321 . . . . 3.15 110.662 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.79 -34.06 80.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.222 -0.514 . . . . 4.2 112.641 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 81' ' ' THR . 94.9 mttt -65.39 -49.99 67.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.594 0.235 . . . . 4.88 110.928 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 87' ' ' LEU . 4.0 pp -73.63 -30.8 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.001 0.429 . . . . 5.71 110.366 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 86' ' ' LEU . 64.7 tp -57.51 -51.98 67.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.653 -0.703 . . . . 6.68 109.788 176.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -69.65 -35.11 74.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.635 -0.711 . . . . 8.18 110.746 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.11 -48.61 78.51 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.107 -0.568 . . . . 8.78 112.714 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 90' ' ' LEU . 3.9 mm? -76.61 -20.53 56.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 8.69 110.987 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.81 -32.12 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 10.13 110.45 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.48 -59.31 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 12.11 110.528 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 m -104.15 84.08 2.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.979 -0.555 . . . . 11.83 110.382 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -108.45 -38.1 5.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.865 -0.607 . . . . 11.37 110.404 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -89.28 -33.92 16.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.407 -0.361 . . . . 13.64 110.37 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.3 t 58.17 89.93 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 O-C-N 123.722 0.639 . . . . 13.75 111.206 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -77.85 -43.35 30.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.09 -0.505 . . . . 16.47 110.191 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -92.82 148.71 21.81 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.332 -0.618 . . . . 14.75 109.332 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.782 ' HA ' ' HE2' ' A' ' 214' ' ' PHE . 21.6 ptmt -81.06 140.36 35.16 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.61 -0.436 . . . . 17.05 110.275 177.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -70.27 144.42 51.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.298 -0.63 . . . . 14.47 109.298 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.59 92.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.382 0.611 . . . . 18.27 111.355 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.88 121.49 15.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.986 -1.007 . . . . 15.08 111.686 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.07 -45.25 91.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 16.29 110.805 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 142.21 88.92 0.12 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.579 -0.82 . . . . 14.8 112.185 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.56 -42.44 97.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.206 -0.521 . . . . 16.02 111.855 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.38 28.66 2.3 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.967 -0.635 . . . . 15.61 112.348 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -129.88 140.08 51.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.886 0.374 . . . . 16.05 110.598 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -121.31 51.5 0.78 Allowed Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.542 -0.623 . . . . 16.77 111.542 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 126.69 106.81 1.47 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.323 -0.711 . . . . 17.38 111.323 -176.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.2 t -93.89 26.11 3.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.3 0.572 . . . . 18.07 110.556 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.43 -56.32 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 17.15 110.207 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -110.15 -25.24 10.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.266 -0.424 . . . . 15.45 110.074 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -78.27 100.04 6.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 17.85 110.073 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 153.4 38.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.227 -0.442 . . . . 14.83 110.203 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.568 HG21 ' HD3' ' A' ' 212' ' ' ARG . 48.2 mm -64.52 122.19 14.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.323 -0.399 . . . . 12.01 110.555 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.446 ' N ' HD21 ' A' ' 116' ' ' ASN . 0.9 OUTLIER -78.11 149.72 76.74 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.88 -0.6 . . . . 11.89 110.087 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -58.11 -23.36 60.75 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.723 2.282 . . . . 11.3 111.796 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -53.13 -41.3 64.93 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.709 -0.678 . . . . 11.18 110.972 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.5 -25.89 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.122 0.487 . . . . 8.95 110.707 -177.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.505 ' HE2' ' HG3' ' A' ' 212' ' ' ARG . 23.5 mmt -70.15 -15.0 62.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.075 0.464 . . . . 9.07 110.586 -178.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -70.6 -22.46 62.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.077 -0.511 . . . . 7.57 110.387 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 24.6 ttt -70.14 -36.38 74.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.614 -0.513 . . . . 7.62 109.614 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.606 ' O ' HG21 ' A' ' 126' ' ' VAL . 36.3 mm -60.16 -28.24 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 115.436 -0.802 . . . . 5.77 110.604 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 19.9 t70 -48.88 -29.99 5.32 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.667 -0.697 . . . . 4.81 112.227 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.7 p -54.48 -46.56 73.42 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.558 -0.292 . . . . 4.31 111.759 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.606 HG21 ' O ' ' A' ' 123' ' ' ILE . 23.1 m -73.3 -32.7 38.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.764 0.316 . . . . 4.22 110.829 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.626 ' HG2' HD12 ' A' ' 204' ' ' LEU . 40.4 mt-10 -64.65 -32.4 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 4.32 110.501 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 124' ' ' ASP . 59.5 mtpt -58.78 -33.29 70.14 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.168 -0.469 . . . . 4.91 110.562 175.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.61 -44.87 73.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.529 . . . . 5.02 110.156 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 32.1 tt0 -64.36 -39.14 93.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 3.16 110.538 178.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 127' ' ' GLU . 65.5 mtt -60.48 -43.37 97.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.411 . . . . 3.96 110.932 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.2 t -61.52 -42.98 99.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.468 -0.567 . . . . 1.99 109.468 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.857 HD11 HG22 ' A' ' 83' ' ' THR . 1.6 tt -59.52 -43.54 93.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.564 -0.744 . . . . 2.57 109.896 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 66.7 mttm -56.69 -43.56 80.64 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 115.898 -0.592 . . . . 4.02 110.167 175.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -63.98 -45.48 88.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 1.92 110.909 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' MET . . . . . 0.552 ' O ' HG21 ' A' ' 140' ' ' VAL . 0.9 OUTLIER -58.07 -49.9 75.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 1.63 110.777 177.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.544 ' HE1' ' HA ' ' A' ' 193' ' ' THR . 85.9 mtp -66.25 -39.28 89.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 1.97 111.39 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -58.21 -42.6 86.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 3.84 109.836 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 43.5 m -64.14 -38.08 89.78 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.356 -0.838 . . . . 1.61 110.971 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 136' ' ' MET . 71.8 t -55.61 -51.91 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 121.231 0.539 . . . . 1.79 110.866 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 64.8 mt -75.28 -26.81 59.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.087 -0.506 . . . . 2.05 111.504 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -67.82 -41.69 82.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.319 -0.623 . . . . 3.34 109.319 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.445 ' HB3' ' HE1' ' A' ' 72' ' ' TYR . 11.6 t70 -62.27 -38.05 87.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.228 -0.897 . . . . 1.64 109.833 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.527 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 61.1 tttp -55.15 -45.79 75.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.503 -0.771 . . . . 2.41 110.844 177.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -63.48 -34.05 76.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.97 110.504 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -66.29 -37.67 85.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 3.26 110.352 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.669 ' HA ' HD11 ' A' ' 41' ' ' ILE . 63.1 mt -63.85 -50.57 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 1.32 110.173 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.4 -46.53 69.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.836 -0.62 . . . . 2.39 110.254 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.13 -47.04 78.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.268 -0.878 . . . . 2.47 110.978 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 73.8 m -64.0 -38.89 92.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 1.44 111.504 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 147' ' ' ILE . 77.9 mt -56.41 -51.4 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 1.68 110.645 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.73 -30.03 69.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 1.24 111.476 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 49.5 m -73.74 -46.49 45.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.423 -0.353 . . . . 1.27 111.234 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.85 -32.11 73.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 1.97 110.572 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.657 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 13.5 t70 -65.29 -35.86 82.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.78 109.915 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.45 ' OE2' ' HD2' ' A' ' 159' ' ' ARG . 4.7 mm-40 -59.56 -46.91 87.53 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.318 -0.401 . . . . 2.52 110.962 174.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -58.38 -36.95 74.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.988 0.423 . . . . 1.28 110.456 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.55 ' HA ' HG22 ' A' ' 168' ' ' THR . 47.1 tttm -66.02 -41.08 91.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.661 -0.699 . . . . 2.51 110.793 177.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' ' 155' ' ' ASP . 95.1 mtt180 -63.4 -49.73 72.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.959 -0.564 . . . . 4.22 111.08 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -71.36 -44.58 64.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.03 -0.532 . . . . 3.38 110.69 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . 61.39 162.07 0.07 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.676 0.75 . . . . 1.97 112.523 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 15.0 m -125.09 83.2 2.13 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.898 -0.592 . . . . 4.06 109.476 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 62.94 -133.52 43.48 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.465 -0.654 . . . . 3.39 111.465 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -86.42 75.69 2.21 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.185 -0.766 . . . . 3.62 111.185 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 15.8 m -74.55 -35.71 63.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.397 0.141 . . . . 3.61 110.873 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . 71.62 -50.29 0.69 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.68 0.792 . . . . 4.07 112.238 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.83 -13.36 46.66 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.46 -0.336 . . . . 1.78 112.887 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 158' ' ' LYS . 8.0 p -61.22 -42.33 98.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.969 0.414 . . . . 2.0 110.722 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.568 . . . . 4.19 109.872 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 43.3 ttp -61.02 -37.86 84.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.725 -0.671 . . . . 1.53 111.045 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.458 ' HD2' ' HD2' ' A' ' 158' ' ' LYS . 84.2 t80 -61.15 -31.43 71.16 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.99 111.097 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.535 ' HB2' ' HE3' ' A' ' 158' ' ' LYS . 9.4 tp10 -62.01 -49.32 76.51 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.88 -0.415 . . . . 2.38 109.88 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 177' ' ' LYS . 42.4 m-20 -71.85 -34.15 69.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.871 -0.604 . . . . 2.29 111.196 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -69.94 -43.21 72.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.593 -0.276 . . . . 4.06 110.778 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.426 ' O ' HD12 ' A' ' 179' ' ' LEU . 35.0 ttpt -57.33 -55.22 37.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.021 -0.536 . . . . 1.78 110.482 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.445 ' HB2' ' HE2' ' A' ' 180' ' ' LYS . 10.0 pt-20 -62.43 -39.27 92.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.94 -0.304 . . . . 1.35 110.793 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 173' ' ' ASP . 6.7 tppt? -60.39 -50.42 73.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.003 0.43 . . . . 2.5 110.165 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -67.8 -42.86 80.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.837 -0.619 . . . . 1.48 111.247 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 175' ' ' LYS . 8.5 mp -65.64 -45.95 81.07 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.051 0.389 . . . . 2.23 112.051 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 176' ' ' GLU . 68.2 mttm -67.58 -34.43 77.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.678 0.275 . . . . 3.56 110.963 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.4 m -74.29 -37.05 63.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.132 0.491 . . . . 1.74 110.053 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.2 ttt -65.53 -37.8 87.79 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.994 -0.548 . . . . 1.17 110.297 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . 0.454 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -59.7 -28.6 67.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 1.26 111.395 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -71.93 -42.83 66.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.976 0.417 . . . . 3.33 110.566 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -76.58 -23.77 53.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.099 0.476 . . . . 2.71 110.375 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.18 -29.98 69.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.637 -0.71 . . . . 1.16 110.025 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 89.0 mt -66.24 -38.68 88.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.123 0.487 . . . . 3.01 109.697 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 191' ' ' GLU . 77.0 tttt -67.21 -38.58 85.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.478 -0.783 . . . . 3.19 110.095 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.43 -51.8 67.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.695 -0.684 . . . . 1.95 109.44 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -61.63 -31.3 71.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.935 -0.575 . . . . 2.72 111.138 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 29.9 tt0 -60.48 -54.27 47.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.816 -0.439 . . . . 2.86 109.816 175.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' ILE . . . . . 0.642 HD12 HG13 ' A' ' 76' ' ' VAL . 62.1 mt -62.25 -42.48 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.717 -0.674 . . . . 1.6 111.132 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.544 ' HA ' ' HE1' ' A' ' 137' ' ' MET . 75.2 p -67.29 -41.04 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.823 -0.351 . . . . 2.11 111.245 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.86 -44.44 80.95 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.223 -0.444 . . . . 3.84 110.409 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 84.9 mt -66.45 -48.55 69.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.29 -0.414 . . . . 4.02 110.903 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.768 HD21 HG23 ' A' ' 83' ' ' THR . 0.3 OUTLIER -55.63 -46.2 77.46 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.024 0.379 . . . . 3.89 112.024 -174.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -57.47 -26.56 61.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.073 0.463 . . . . 6.49 111.26 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -100.16 -20.46 15.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.096 -0.502 . . . . 4.3 111.173 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.56 ' O ' ' HD2' ' A' ' 202' ' ' PRO . 1.0 OUTLIER -92.83 -45.36 8.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.162 -0.472 . . . . 5.29 112.193 -170.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 196' ' ' LEU . 9.9 tp -71.59 -32.84 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.694 0.283 . . . . 3.27 111.685 -173.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 205' ' ' GLU . 33.5 tt0 -62.86 -50.29 78.02 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 112.441 0.534 . . . . 6.5 112.441 -174.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' PRO . . . . . 0.56 ' HD2' ' O ' ' A' ' 199' ' ' GLU . 41.4 Cg_exo -58.05 -28.48 83.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 C-N-CA 122.01 1.807 . . . . 7.52 112.853 -178.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 199' ' ' GLU . 0.9 OUTLIER -71.86 -33.72 68.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 7.15 110.247 179.635 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.626 HD12 ' HG2' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -74.47 -48.31 28.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.003 -0.74 . . . . 6.12 109.003 175.063 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 201' ' ' GLU . 10.3 mm-40 -54.15 -51.33 64.61 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.238 -0.892 . . . . 9.31 111.493 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . 0.418 ' HE2' ' HB2' ' A' ' 206' ' ' LYS . 10.8 ptmm? -63.19 -41.12 99.15 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 120.764 -0.374 . . . . 10.86 111.024 -177.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.602 HD21 HG22 ' A' ' 126' ' ' VAL . 21.1 tp -60.83 -43.03 98.82 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.688 0.28 . . . . 7.6 110.811 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -58.06 -50.2 74.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.879 -0.6 . . . . 9.74 110.445 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.5 -50.55 36.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.348 0.594 . . . . 13.37 111.714 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.82 -46.98 79.69 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.065 -0.971 . . . . 11.25 112.365 -171.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -65.67 -28.18 68.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.819 0.343 . . . . 10.09 110.719 -174.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.568 ' HD3' HG21 ' A' ' 115' ' ' ILE . 7.8 mmp_? -77.72 -44.71 26.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.074 0.464 . . . . 12.99 110.279 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.643 ' O ' ' HB2' ' A' ' 217' ' ' PHE . . . -70.13 -32.99 71.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.01 -0.541 . . . . 13.26 111.436 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . 0.782 ' HE2' ' HA ' ' A' ' 99' ' ' LYS . 52.3 t80 -76.63 -54.66 6.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.554 -0.294 . . . . 14.02 111.483 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 63.4 mt -78.59 -53.05 7.61 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.575 0.583 . . . . 11.97 112.575 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -77.38 -58.42 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.631 0.253 . . . . 12.73 111.632 -174.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . 0.643 ' HB2' ' O ' ' A' ' 213' ' ' ALA . 30.8 m-85 -54.59 -59.18 5.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.246 0.546 . . . . 14.13 110.987 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -93.43 38.75 1.05 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.682 -0.69 . . . . 15.76 111.097 -175.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -54.12 -56.2 20.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.526 -0.761 . . . . 15.78 111.488 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 20.0 p -93.45 80.26 4.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.959 -0.564 . . . . 17.94 110.993 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 C--O 1.252 1.189 0 CA-C-N 115.923 -0.581 . . . . 17.45 111.099 178.652 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.765 -0.534 . . . . 21.59 111.765 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -151.61 -58.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 21.37 110.741 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 89.3 mtp -76.92 -29.82 55.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.445 -0.343 . . . . 18.72 110.988 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 67.09 10.92 8.08 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.295 0.569 . . . . 18.04 111.199 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 115.56 21.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.138 -0.483 . . . . 14.86 110.634 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -89.37 96.18 5.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.058 0.456 . . . . 12.67 110.019 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 p -104.14 145.67 31.11 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.894 -0.594 . . . . 10.33 111.509 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -82.41 6.18 5.9 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.84 2.36 . . . . 9.43 112.647 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.8 mmt -73.53 141.61 46.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 8.64 110.708 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -83.05 176.12 9.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.585 . . . . 7.1 111.063 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -78.18 177.34 8.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.082 -0.508 . . . . 6.84 110.088 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -79.93 119.78 77.77 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.501 -0.318 . . . . 3.56 110.148 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.96 135.03 39.35 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.622 2.215 . . . . 2.04 111.491 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.53 -37.54 78.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.422 -0.354 . . . . 2.8 111.218 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 79.8 mt -57.15 -47.78 80.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 2.67 110.329 174.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.35 -34.59 74.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 1.51 110.78 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.667 HD21 ' HH ' ' A' ' 43' ' ' TYR . 8.7 t30 -59.41 -45.18 92.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.989 -0.55 . . . . 2.85 110.468 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -69.42 -40.21 77.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 1.72 110.825 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 49.7 mt-10 -62.9 -38.9 92.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 2.43 110.621 177.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 24' ' ' MET . 35.5 tt0 -65.6 -37.7 87.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.927 -0.579 . . . . 1.99 109.96 177.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -61.65 -40.05 93.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.931 -0.577 . . . . 1.36 110.673 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.533 ' HE3' ' HA ' ' A' ' 22' ' ' MET . 29.5 mmt -63.18 -38.17 90.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 2.03 110.289 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -64.01 -43.9 94.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 3.79 110.177 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 29' ' ' LYS . 95.4 mmm -60.07 -43.46 95.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 2.09 110.471 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.31 -55.53 10.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 1.46 112.107 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -65.31 -42.8 92.66 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.998 0.37 . . . . 1.75 111.998 -174.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.94 2.25 43.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.317 0.579 . . . . 2.5 110.378 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.82 31.32 20.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.3 -0.864 . . . . 2.77 111.38 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 24' ' ' MET . 14.4 mmmm -80.09 -16.3 55.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 3.7 110.288 177.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.421 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 10.4 tt -73.03 107.73 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-O 121.727 0.775 . . . . 1.4 109.964 176.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -102.11 -166.68 1.31 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.589 -0.732 . . . . 2.15 109.047 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.56 -51.27 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.303 0.483 . . . . 1.51 112.303 -172.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.66 -31.08 70.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.986 0.422 . . . . 1.75 111.763 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' A' ' 30' ' ' ILE . 8.0 p30 -109.89 14.81 23.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.333 -0.394 . . . . 1.45 110.86 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -71.17 -23.48 62.06 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.131 -1.063 . . . . 1.76 108.131 170.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.404 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 48.2 m95 -87.19 156.92 19.48 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.768 -1.105 . . . . 0.94 109.723 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 96.0 m-20 70.88 1.65 3.86 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.554 0.741 . . . . 2.77 110.825 -173.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.631 ' HB3' HD11 ' A' ' 71' ' ' ILE . 16.0 m-85 -111.07 90.33 3.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.082 -0.508 . . . . 2.08 110.195 175.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.61 118.82 25.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.482 . . . . 1.52 110.322 173.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.6 mt -73.13 -17.7 61.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.628 -0.715 . . . . 2.26 110.96 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.7 -37.65 54.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.5 -0.773 . . . . 2.48 111.778 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.0 -36.77 75.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 2.45 110.734 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.667 ' HH ' HD21 ' A' ' 17' ' ' ASN . 94.9 m-85 -83.91 -31.85 25.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.078 -0.51 . . . . 2.15 111.56 -178.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.412 ' CD1' HG21 ' A' ' 150' ' ' THR . 24.4 m-85 -67.28 -42.03 84.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.702 -0.226 . . . . 2.68 111.587 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -75.88 -23.62 55.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.555 -0.293 . . . . 1.84 111.07 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.29 -52.91 9.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 2.94 109.989 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.2 mtt 69.35 -49.48 0.61 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.163 -0.926 . . . . 1.99 112.692 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.578 ' HA ' ' HB3' ' A' ' 51' ' ' LYS . 8.5 t -54.05 -23.95 15.48 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.261 0.624 . . . . 4.03 112.185 -172.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.499 ' HG ' ' HD2' ' A' ' 43' ' ' TYR . 2.8 tm? -48.75 -50.45 33.78 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.911 0.386 . . . . 2.71 110.201 173.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.572 ' HB2' ' HZ3' ' A' ' 60' ' ' LYS . 66.8 mt -121.41 26.06 9.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 3.85 110.911 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.578 ' HB3' ' HA ' ' A' ' 48' ' ' SER . 49.3 tttm -118.6 127.71 53.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.287 -0.415 . . . . 3.76 109.892 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -110.42 113.07 25.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.259 -0.428 . . . . 2.55 110.746 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.29 -106.45 2.1 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 121.054 -0.593 . . . . 1.75 112.399 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -119.72 -24.76 6.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.856 0.36 . . . . 2.87 110.7 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.0 t -94.15 170.61 9.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.099 0.476 . . . . 2.03 110.602 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.16 135.22 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.86 -0.609 . . . . 1.26 110.08 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -66.76 103.96 1.22 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.064 -0.516 . . . . 2.33 109.735 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.443 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 86.0 m-85 -70.04 -9.63 55.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.918 -0.583 . . . . 1.02 110.355 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -58.88 3.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.764 -0.828 . . . . 1.97 108.764 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' HZ3' ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -68.68 -28.34 66.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.354 -0.839 . . . . 2.82 110.244 177.493 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -66.09 -47.06 75.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 1.25 111.31 -176.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.662 ' HB2' ' HG2' ' A' ' 174' ' ' ARG . 19.4 p -69.39 -35.95 76.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.005 0.431 . . . . 1.46 110.331 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.1 t -61.05 -50.81 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.656 -0.702 . . . . 1.79 110.334 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.0 p -66.66 -28.6 68.6 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.212 -0.449 . . . . 1.96 111.252 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.95 -44.39 76.88 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.767 -0.457 . . . . 2.2 109.767 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.39 -42.61 98.81 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.159 0.504 . . . . 0.82 110.351 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.23 -32.99 86.04 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.832 -0.699 . . . . 0.61 111.822 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.627 ' HA ' HG21 ' A' ' 71' ' ' ILE . 49.8 t -64.01 -38.01 89.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.623 0.249 . . . . 1.93 110.549 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.81 -39.9 85.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.29 0.566 . . . . 2.13 110.087 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -68.41 -50.98 48.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.792 -0.64 . . . . 3.41 110.924 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.631 HD11 ' HB3' ' A' ' 38' ' ' PHE . 15.2 tt -65.64 -33.72 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 1.8 110.845 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.851 ' HH ' ' HB2' ' A' ' 144' ' ' LYS . 76.2 t80 -54.05 -54.72 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 1.14 110.352 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.883 HG22 ' HB3' ' A' ' 185' ' ' LYS . 25.4 p -75.69 -24.91 56.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.017 -0.538 . . . . 1.34 111.833 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -62.54 -40.27 96.28 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.659 -0.496 . . . . 1.89 109.659 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 79' ' ' VAL . 88.4 mtm180 -67.05 -41.13 87.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.953 -0.567 . . . . 2.35 110.322 176.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.623 HG11 HD13 ' A' ' 192' ' ' ILE . 90.8 t -57.62 -42.17 80.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.19 0.519 . . . . 1.48 110.404 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.87 -42.58 94.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.654 -0.703 . . . . 1.87 110.572 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.2 m -63.75 -31.43 72.6 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.87 -0.605 . . . . 1.71 110.985 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 83' ' ' THR . 41.0 t -62.76 -41.62 93.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.248 -0.433 . . . . 2.02 109.99 175.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.7 -24.5 67.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.588 0.588 . . . . 1.45 112.588 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.4 m -74.01 -46.27 44.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.467 0.651 . . . . 2.29 109.634 171.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.827 ' HB3' HD21 ' A' ' 133' ' ' LEU . 1.8 tp10 -77.71 -20.14 54.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.212 -0.904 . . . . 2.42 111.399 -173.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.829 HG22 HD22 ' A' ' 196' ' ' LEU . 1.0 OUTLIER -57.85 -29.51 65.04 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.209 -0.307 . . . . 3.15 111.571 -178.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.74 ' HA2' ' HB ' ' A' ' 200' ' ' ILE . . . -56.29 -30.78 58.73 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.99 -0.624 . . . . 4.2 112.107 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.669 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 50.8 mmtt -67.99 -29.12 68.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.648 0.261 . . . . 4.88 110.65 -177.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.913 ' HG ' HD11 ' A' ' 133' ' ' LEU . 49.8 mt -53.94 -35.24 61.52 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.989 0.737 . . . . 5.71 112.989 -174.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 204' ' ' LEU . 53.2 tp -52.63 -42.62 64.8 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.781 0.289 . . . . 6.68 111.781 -175.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.928 ' HB2' ' HG2' ' A' ' 127' ' ' GLU . 71.7 p -60.39 -47.32 86.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.317 -0.402 . . . . 8.18 110.985 -177.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.5 -44.01 74.72 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.925 -0.655 . . . . 8.78 112.214 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.05 -42.4 90.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 8.69 110.741 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.32 -38.56 81.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 10.13 110.871 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.23 -46.63 76.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 12.11 110.789 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.8 m -63.27 -38.25 90.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.356 -0.383 . . . . 11.83 110.805 178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -67.32 -37.55 83.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 11.37 111.028 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.05 -76.77 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.188 -0.46 . . . . 13.64 110.461 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m 52.1 23.81 2.44 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.258 0.836 . . . . 13.75 113.258 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -129.81 139.4 51.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.231 -0.293 . . . . 16.47 110.405 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.9 tttm 55.73 86.51 0.06 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.238 0.542 . . . . 14.75 110.542 -172.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.619 ' HB2' ' HZ1' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -74.56 146.28 42.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.949 -0.569 . . . . 17.05 109.869 178.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -77.53 161.34 27.97 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.106 -0.497 . . . . 14.47 110.293 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HE ' ' HB2' ' A' ' 101' ' ' ARG . 36.1 mtm180 -65.99 -51.34 59.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.423 0.63 . . . . 18.27 109.426 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.78 132.97 52.14 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.745 -1.116 . . . . 15.08 110.38 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -92.91 -32.03 14.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.249 0.547 . . . . 16.29 109.74 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -168.48 178.85 41.81 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.401 -0.818 . . . . 14.8 111.654 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.04 -164.66 29.97 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.992 -0.623 . . . . 16.02 112.031 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.67 109.11 2.72 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.865 -0.683 . . . . 15.61 111.902 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.5 t -76.02 116.81 17.08 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.701 -0.481 . . . . 16.05 109.701 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -175.13 97.65 0.12 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 121.126 -0.559 . . . . 16.77 111.994 -177.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.407 ' HA2' ' ND2' ' A' ' 116' ' ' ASN . . . 174.02 52.89 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.023 -0.608 . . . . 17.38 111.801 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.0 t -165.2 -34.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.031 0.443 . . . . 18.07 110.331 -177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.58 -57.88 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.807 -0.633 . . . . 17.15 110.978 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 112' ' ' ARG . 13.5 ptt180 -112.62 160.96 17.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.21 -0.45 . . . . 15.45 110.172 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -103.84 3.0 33.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.224 0.535 . . . . 17.85 110.686 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.513 ' HD3' ' HZ ' ' A' ' 217' ' ' PHE . 24.1 mttp -72.99 -162.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.576 0.703 . . . . 14.83 111.641 173.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.49 HG23 ' HD2' ' A' ' 214' ' ' PHE . 82.9 mt -61.17 119.43 5.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.816 -1.084 . . . . 12.01 110.817 174.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.407 ' ND2' ' HA2' ' A' ' 109' ' ' GLY . 91.5 m-20 -95.12 153.3 39.8 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.295 -0.411 . . . . 11.89 111.002 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.13 -22.58 73.1 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.621 2.214 . . . . 11.3 112.435 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.401 ' HA ' HD21 ' A' ' 121' ' ' ASN . 51.5 mtmt -70.95 -10.66 60.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.573 -0.285 . . . . 11.18 111.721 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.6 t -61.78 -36.69 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 8.95 110.067 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.3 mtm -73.36 -27.6 61.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 9.07 110.268 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.401 HD21 ' HA ' ' A' ' 118' ' ' LYS . 21.5 m-80 -68.65 -32.08 71.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.9 -0.591 . . . . 7.57 110.565 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 26.3 mmt -61.73 -42.95 99.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 7.62 109.781 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 127' ' ' GLU . 59.8 mt -71.0 -33.36 51.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.558 -0.746 . . . . 5.77 111.159 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 29.1 t70 -56.45 -37.11 69.83 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.037 0.446 . . . . 4.81 110.662 177.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.4 t -68.78 -36.46 78.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.81 -0.632 . . . . 4.31 110.402 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.491 HG22 ' CD2' ' A' ' 207' ' ' LEU . 73.5 t -60.99 -43.89 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.746 -0.661 . . . . 4.22 110.52 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.928 ' HG2' ' HB2' ' A' ' 88' ' ' SER . 44.0 mt-10 -61.93 -34.39 76.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.774 -0.648 . . . . 4.32 111.234 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 124' ' ' ASP . 41.7 mmtm -71.3 -31.27 67.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.014 -0.539 . . . . 4.91 111.16 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -61.03 -27.99 68.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.032 -0.531 . . . . 5.02 111.91 -174.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.3 OUTLIER -56.08 -29.42 60.52 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.669 0.271 . . . . 3.16 111.355 -178.209 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.825 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 71.5 mtm -67.56 -40.38 84.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.838 0.351 . . . . 3.96 110.7 -178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -72.95 -31.01 64.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.134 0.492 . . . . 1.99 109.794 174.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.913 HD11 ' HG ' ' A' ' 86' ' ' LEU . 8.1 mt -62.65 -45.65 91.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.798 -0.637 . . . . 2.57 112.628 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.825 ' HE2' ' HA ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -59.82 -38.28 81.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.328 -0.619 . . . . 4.02 109.328 177.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.3 -45.47 84.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.658 -0.701 . . . . 1.92 110.524 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' MET . . . . . 0.62 ' HE1' ' HG2' ' A' ' 82' ' ' GLU . 73.1 mtm -66.96 -43.28 83.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.697 -0.229 . . . . 1.63 111.522 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.528 ' O ' HG23 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -60.65 -46.55 89.9 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.059 0.457 . . . . 1.97 110.491 175.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -66.63 -25.31 66.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 3.84 110.956 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' THR . . . . . 0.601 ' HA ' ' HE3' ' A' ' 142' ' ' LYS . 23.2 m -64.75 -48.08 75.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.447 -0.342 . . . . 1.61 111.052 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 137' ' ' MET . 18.3 m -64.67 -33.41 63.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.175 -0.61 . . . . 1.79 110.122 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.553 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 53.0 mt -74.19 -40.52 62.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.968 0.359 . . . . 2.05 111.968 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.601 ' HE3' ' HA ' ' A' ' 139' ' ' THR . 22.1 pttp -69.96 -39.91 75.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.013 -0.366 . . . . 3.34 110.013 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.523 ' O ' HG13 ' A' ' 147' ' ' ILE . 1.4 m-20 -64.76 -32.41 74.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.973 -0.558 . . . . 1.64 110.145 176.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.851 ' HB2' ' HH ' ' A' ' 72' ' ' TYR . 58.9 tttp -53.87 -53.15 56.57 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.064 -0.516 . . . . 2.41 110.289 173.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 149' ' ' GLU . 36.2 m80 -62.77 -41.13 99.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.741 -0.663 . . . . 0.97 110.293 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 74.1 mmtt -60.2 -41.82 93.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 3.26 111.557 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 143' ' ' ASP . 81.8 mt -62.59 -46.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.954 -0.387 . . . . 1.32 109.954 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -54.74 -44.84 73.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 2.39 110.649 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 145' ' ' HIS . 71.9 mm-40 -60.25 -42.75 95.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.903 -0.59 . . . . 2.47 110.859 177.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.412 HG21 ' CD1' ' A' ' 44' ' ' PHE . 33.1 m -63.57 -44.94 92.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.774 -0.648 . . . . 1.44 111.0 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 147' ' ' ILE . 69.8 mt -59.79 -41.92 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 1.68 110.618 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.92 -34.21 76.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.409 . . . . 1.24 111.264 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.704 ' O ' ' HG2' ' A' ' 156' ' ' GLU . 76.0 m -73.4 -45.0 57.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 1.27 111.25 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.445 HD22 ' CE1' ' A' ' 171' ' ' PHE . 15.8 tp -66.18 -28.11 68.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.551 0.691 . . . . 1.97 109.549 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.19 -38.6 78.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.21 -0.905 . . . . 0.78 111.463 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.704 ' HG2' ' O ' ' A' ' 153' ' ' THR . 9.5 pt-20 -70.93 -23.81 62.32 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.959 0.409 . . . . 2.52 110.283 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -69.68 -33.66 72.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.467 -0.333 . . . . 1.28 110.482 172.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.587 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 63.1 tttt -71.51 -21.74 61.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.54 0.686 . . . . 2.51 109.86 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.98 -48.86 27.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.649 -0.705 . . . . 4.22 110.555 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -75.1 -36.43 61.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.866 0.365 . . . . 3.38 110.869 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -109.89 98.3 7.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 1.97 109.836 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 7.1 p -64.87 -41.77 95.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.734 -0.666 . . . . 4.06 111.721 -175.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -129.13 -36.38 0.43 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.623 -0.799 . . . . 3.39 112.761 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 61.48 -114.38 6.65 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.931 -0.868 . . . . 3.62 110.931 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.5 t -110.56 -54.55 2.57 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.478 -0.934 . . . . 3.61 108.478 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -173.1 132.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.267 -0.879 . . . . 4.07 109.63 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 140.97 -30.37 2.27 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.231 -0.985 . . . . 1.78 112.891 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.587 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 39.2 p -64.34 -44.06 92.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 2.0 111.46 -176.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -72.38 -33.65 67.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.87 0.367 . . . . 4.19 110.527 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' MET . . . . . 0.452 ' HE1' ' HB3' ' A' ' 170' ' ' MET . 13.9 tmm? -69.3 -33.3 72.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 1.53 110.27 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.445 ' CE1' HD22 ' A' ' 154' ' ' LEU . 44.5 t80 -58.25 -34.29 70.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.123 -0.49 . . . . 0.99 110.525 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.12 -44.41 79.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.07 0.462 . . . . 2.38 110.144 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.12 -35.54 81.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.352 -0.84 . . . . 2.29 110.4 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.662 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 20.6 tpp180 -75.44 -39.07 59.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.059 -0.519 . . . . 4.06 111.115 176.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -54.88 -50.82 67.78 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.002 0.189 . . . . 1.78 111.273 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -55.95 -38.81 70.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.406 -0.361 . . . . 1.35 111.181 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -80.01 -42.13 24.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.027 0.441 . . . . 2.5 110.862 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.05 75.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.927 -0.579 . . . . 1.48 110.784 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.458 HD13 HD12 ' A' ' 151' ' ' ILE . 10.9 mp -67.71 -32.98 74.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 2.23 110.856 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.0 -49.18 77.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.117 0.484 . . . . 3.56 110.23 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 25.6 m -69.62 -40.66 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.461 -0.79 . . . . 1.74 110.665 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 27.4 ttt -63.06 -35.48 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 1.17 110.839 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . 0.454 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -63.6 -45.96 87.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.068 0.461 . . . . 1.26 110.703 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.477 ' HA ' HD11 ' A' ' 187' ' ' LEU . 13.6 mmmm -67.86 -37.59 82.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.846 -0.615 . . . . 3.33 110.926 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.883 ' HB3' HG22 ' A' ' 73' ' ' THR . 67.4 mmtt -70.75 -31.39 68.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.97 -0.559 . . . . 2.71 111.292 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.38 -36.39 81.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.135 0.493 . . . . 1.16 109.898 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 184' ' ' LYS . 81.6 mt -61.44 -34.31 75.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.746 -0.661 . . . . 3.01 110.297 174.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . 0.572 ' HZ1' ' HB3' ' A' ' 188' ' ' LYS . 2.7 mmmp? -72.85 -33.73 66.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 3.19 110.296 177.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 21.0 tp -62.63 -46.7 87.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 1.95 109.94 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.42 -43.59 88.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 2.72 110.034 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.53 -44.43 85.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.781 -0.645 . . . . 2.86 110.806 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' ILE . . . . . 0.623 HD13 HG11 ' A' ' 76' ' ' VAL . 10.8 mt -58.8 -43.33 87.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 1.6 111.841 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 82.1 p -61.97 -46.06 90.93 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.002 0.43 . . . . 2.11 111.301 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.79 -32.59 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.122 -0.49 . . . . 3.84 110.736 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.0 tp -70.09 -49.68 48.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.908 -0.587 . . . . 4.02 110.667 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.829 HD22 HG22 ' A' ' 83' ' ' THR . 1.7 pp -58.38 -34.83 71.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 3.89 110.306 -178.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -46.43 -42.18 14.86 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.511 0.507 . . . . 6.49 111.183 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -94.93 -43.53 8.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.099 -0.5 . . . . 4.3 110.443 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.41 ' HG2' ' HE3' ' A' ' 203' ' ' LYS . 40.5 tt0 -64.28 -40.52 96.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.558 0.947 . . . . 5.29 113.558 -169.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.755 HG22 ' HB ' ' A' ' 83' ' ' THR . 24.1 pt -70.82 -25.76 26.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.787 0.327 . . . . 3.27 111.471 -172.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.414 ' HB3' ' CD ' ' A' ' 202' ' ' PRO . 45.8 tt0 -58.08 -60.63 9.47 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-N 115.878 -0.601 . . . . 6.5 111.545 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' PRO . . . . . 0.414 ' CD ' ' HB3' ' A' ' 201' ' ' GLU . 38.3 Cg_endo -67.48 -22.64 44.75 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.664 1.576 . . . . 7.52 112.119 175.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 206' ' ' LYS . 40.6 ttmt -64.73 -50.57 66.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.012 -0.54 . . . . 7.15 110.779 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.597 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 9.5 tt -75.31 -27.26 59.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.545 0.212 . . . . 6.12 110.524 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 209' ' ' GLN . 27.9 tt0 -54.11 -23.92 15.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.059 -0.519 . . . . 9.31 112.258 -173.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . 0.527 ' HB2' ' HZ2' ' A' ' 206' ' ' LYS . 0.0 OUTLIER -59.4 -37.76 78.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 120.839 -0.344 . . . . 10.86 110.378 175.029 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.511 HD12 ' HG3' ' A' ' 206' ' ' LYS . 9.0 mp -74.95 -39.52 61.29 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.995 0.426 . . . . 7.6 110.395 174.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -58.95 -40.75 85.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 9.74 110.152 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 205' ' ' GLU . 16.1 mm100 -61.44 -35.19 76.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.638 -0.71 . . . . 13.37 111.079 177.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 206' ' ' LYS . 45.6 mt-10 -66.57 -40.41 88.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.503 -0.317 . . . . 11.25 110.837 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.5 -41.63 88.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.175 0.512 . . . . 10.09 109.654 176.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -62.35 -39.13 92.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.565 -0.743 . . . . 12.99 110.375 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.6 79.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.708 -0.678 . . . . 13.26 111.193 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . 0.49 ' HD2' HG23 ' A' ' 115' ' ' ILE . 84.1 t80 -67.6 -39.69 84.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 14.02 110.083 177.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.13 -33.76 76.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.772 -0.649 . . . . 11.97 110.745 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.27 -44.42 29.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 12.73 110.322 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . 0.513 ' HZ ' ' HD3' ' A' ' 114' ' ' LYS . 76.7 t80 -54.74 -50.49 68.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.243 -0.889 . . . . 14.13 111.136 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -79.66 78.07 6.24 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.108 0.48 . . . . 15.76 110.168 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -80.76 -45.18 17.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.579 -0.737 . . . . 15.78 110.437 -176.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 24.9 p -85.07 94.22 8.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.3 0.571 . . . . 17.94 110.208 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.525 -0.75 . . . . 17.45 110.391 -178.657 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.96 -0.456 . . . . 21.59 111.96 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -100.59 -59.28 1.73 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.971 0.415 . . . . 21.37 109.958 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.9 ttp -120.91 125.21 46.86 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.827 -0.624 . . . . 18.72 109.835 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -76.4 101.05 5.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.396 -0.365 . . . . 18.04 110.084 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.16 -173.66 0.12 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.691 0.62 . . . . 14.86 111.379 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t -111.78 94.3 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.172 -0.467 . . . . 12.67 109.8 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 35.4 p -92.03 138.49 24.6 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.254 -0.43 . . . . 10.33 110.481 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 7' ' ' THR . 38.9 Cg_exo -60.81 -27.09 84.25 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.972 2.448 . . . . 9.43 112.208 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.9 ttt 60.66 91.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.101 -0.954 . . . . 8.64 110.985 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 tptt 62.97 93.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.146 -0.934 . . . . 7.1 111.713 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -98.64 144.0 28.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.467 -0.788 . . . . 6.84 109.108 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.41 128.89 91.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 121.129 0.49 . . . . 3.56 111.216 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.8 108.48 2.58 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.512 2.141 . . . . 2.04 112.117 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.6 mm -75.51 -16.69 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.449 0.642 . . . . 2.8 109.791 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.559 HD21 ' HG ' ' A' ' 49' ' ' LEU . 88.1 mt -52.81 -36.82 59.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.307 -0.86 . . . . 2.67 110.824 175.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.66 -33.95 73.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.921 -0.581 . . . . 1.51 111.285 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -70.37 -39.46 74.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.37 0.605 . . . . 2.85 109.967 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' HE1' HG21 ' A' ' 64' ' ' THR . 40.2 t80 -63.06 -49.69 73.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.22 -0.9 . . . . 1.72 111.095 -177.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.59 -26.87 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.475 -0.33 . . . . 2.43 111.021 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -60.3 -45.55 92.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.182 0.515 . . . . 1.99 109.849 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.504 ' CZ3' ' HE1' ' A' ' 43' ' ' TYR . 46.6 m0 -63.81 -37.46 87.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.601 -0.727 . . . . 1.36 110.781 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.566 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -70.34 -36.83 74.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 2.03 110.578 -178.226 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -62.82 -36.6 83.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.016 0.436 . . . . 3.79 110.045 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.504 ' HE2' ' HA ' ' A' ' 30' ' ' ILE . 68.1 mmm -68.63 -42.56 77.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.882 -0.599 . . . . 2.09 110.789 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.3 -36.78 74.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.768 0.655 . . . . 1.46 112.768 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.4 p -61.11 -50.75 71.99 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.046 0.758 . . . . 1.75 113.046 -171.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -96.8 6.63 48.3 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.088 -0.245 . . . . 2.5 110.823 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.0 m120 65.18 35.63 7.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.913 -0.585 . . . . 2.77 111.528 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.0 -16.99 60.6 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.529 0.681 . . . . 3.7 109.297 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.504 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 6.0 tt -62.83 103.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.023 -0.99 . . . . 1.4 110.677 177.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -70.68 157.01 38.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 2.15 109.858 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -64.24 -30.74 71.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.602 0.239 . . . . 1.51 111.297 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -38.14 72.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.153 0.502 . . . . 1.75 110.773 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.434 ' ND2' HG13 ' A' ' 30' ' ' ILE . 2.4 p-10 -110.34 14.39 22.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.865 -0.607 . . . . 1.45 110.921 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.448 ' HA ' HD12 ' A' ' 30' ' ' ILE . 32.8 t -67.81 -20.57 65.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.59 -0.892 . . . . 1.76 108.59 173.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -96.67 148.0 23.32 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.55 -1.205 . . . . 0.94 109.013 174.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 74.23 -0.5 3.33 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.213 1.005 . . . . 2.77 111.291 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.662 ' HB3' HD11 ' A' ' 71' ' ' ILE . 1.1 m-85 -88.7 82.72 6.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.046 -0.724 . . . . 2.08 109.046 169.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.466 ' HB3' HH22 ' A' ' 75' ' ' ARG . . . -123.82 116.73 23.45 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.92 -0.712 . . . . 1.52 111.769 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.72 -18.87 60.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.035 -0.984 . . . . 2.26 109.808 168.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.45 -38.89 58.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 114.63 -1.168 . . . . 2.48 112.749 -169.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.95 -33.4 64.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.073 0.463 . . . . 2.45 111.054 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.504 ' HE1' ' CZ3' ' A' ' 21' ' ' TRP . 82.7 m-85 -84.28 -29.35 26.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.811 -0.631 . . . . 2.15 111.356 -177.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.456 ' HB3' HG23 ' A' ' 150' ' ' THR . 67.1 m-85 -72.77 -42.04 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.107 0.48 . . . . 2.68 110.191 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -53.59 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.429 -0.805 . . . . 1.84 110.219 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -95.57 93.07 6.95 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.772 -0.825 . . . . 2.94 108.772 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.916 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . 63.3 mtt -71.13 89.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.355 -0.839 . . . . 1.99 111.673 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 m -126.47 -40.28 1.96 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.323 -0.853 . . . . 4.03 109.862 175.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.559 ' HG ' HD21 ' A' ' 15' ' ' LEU . 8.7 tt -83.88 -45.71 12.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 2.71 110.506 -178.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.5 mm? -81.56 -30.21 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 3.85 110.811 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.916 ' HB2' ' HB3' ' A' ' 47' ' ' MET . 87.1 tttt -80.78 124.34 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.166 -0.47 . . . . 3.76 110.276 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -115.61 98.07 6.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.868 -0.605 . . . . 2.55 110.116 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.22 -127.23 8.47 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.852 -0.69 . . . . 1.75 112.378 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.05 -14.88 30.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.86 0.362 . . . . 2.87 110.997 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.4 m -136.19 -173.61 3.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.624 -0.509 . . . . 2.03 109.624 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 50' ' ' LEU . 7.6 p -125.95 131.97 71.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.272 0.558 . . . . 1.26 110.674 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -72.13 108.07 5.13 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.345 -0.843 . . . . 2.33 109.811 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.728 ' HZ ' ' HB3' ' A' ' 157' ' ' TYR . 72.3 m-85 -69.9 -6.85 35.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.481 -0.781 . . . . 1.02 111.423 -174.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.414 ' HA ' ' CE ' ' A' ' 170' ' ' MET . 0.6 OUTLIER -71.7 -58.52 3.41 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.981 -0.748 . . . . 1.97 108.981 -178.272 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -66.88 -32.44 73.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.946 -0.57 . . . . 2.82 110.654 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB1' HD22 ' A' ' 154' ' ' LEU . . . -62.49 -46.5 88.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 1.25 111.193 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.775 ' HB3' ' HD3' ' A' ' 174' ' ' ARG . 40.0 m -68.58 -36.48 78.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.354 . . . . 1.46 110.762 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 45.7 t -61.53 -49.2 77.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.007 -0.542 . . . . 1.79 110.483 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.515 HG21 ' HE1' ' A' ' 18' ' ' PHE . 18.1 p -74.66 -29.41 61.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.761 -0.654 . . . . 1.96 111.367 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.427 ' O ' HG21 ' A' ' 69' ' ' VAL . 1.2 tm? -62.34 -41.98 99.01 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.422 -0.584 . . . . 2.2 109.422 176.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.75 -48.72 80.25 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.097 -0.501 . . . . 0.82 110.268 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.05 -32.35 81.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.61 111.969 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.639 ' HA ' HG22 ' A' ' 71' ' ' ILE . 41.9 t -68.22 -33.15 73.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.596 0.236 . . . . 1.93 110.898 179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 65' ' ' LEU . 88.4 t -65.77 -38.34 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.272 0.558 . . . . 2.13 109.858 175.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -67.91 -46.14 72.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.629 -0.714 . . . . 3.41 110.864 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.662 HD11 ' HB3' ' A' ' 38' ' ' PHE . 14.5 tt -68.8 -33.15 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 1.8 110.637 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.727 ' HH ' ' HB2' ' A' ' 144' ' ' LYS . 81.5 t80 -57.08 -51.58 68.7 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.925 0.393 . . . . 1.14 110.728 176.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.2 p -71.01 -26.7 63.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.404 -0.362 . . . . 1.34 110.975 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 m -63.33 -33.11 74.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.902 0.382 . . . . 1.89 110.18 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.466 HH22 ' HB3' ' A' ' 39' ' ' ALA . 86.9 mtt180 -65.33 -42.46 92.92 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.02 -0.536 . . . . 2.35 110.151 174.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.852 HG13 HD11 ' A' ' 192' ' ' ILE . 23.1 t -58.45 -42.11 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.838 -0.619 . . . . 1.48 109.833 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -66.34 -32.15 73.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.782 -0.644 . . . . 1.87 110.855 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 t -66.44 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 1.71 110.12 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.07 -48.84 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 2.02 109.727 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.4 81.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 1.45 110.888 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.6 m -61.92 -40.14 94.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.23 0.538 . . . . 2.29 109.958 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.8 -33.68 74.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 2.42 110.094 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.621 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 7.1 m -65.17 -36.23 83.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.94 -0.573 . . . . 3.15 109.888 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.75 -25.61 61.56 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.458 -0.792 . . . . 4.2 113.028 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -61.89 -43.12 99.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.064 0.459 . . . . 4.88 109.8 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 86' ' ' LEU . 5.8 mp -74.53 -42.12 59.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.795 -0.638 . . . . 5.71 110.282 176.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 83' ' ' THR . 72.9 mt -59.91 -45.62 91.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.565 -0.743 . . . . 6.68 111.76 -175.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.4 p -61.27 -34.99 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.242 -0.436 . . . . 8.18 111.818 -175.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.44 94.43 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.946 -0.645 . . . . 8.78 111.934 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 mp -78.1 -21.8 49.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.777 0.323 . . . . 8.69 111.098 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.92 -8.14 46.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 10.13 111.241 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.05 -45.86 93.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 12.11 110.007 176.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 t -141.25 98.68 3.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.952 -0.567 . . . . 11.83 110.014 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -111.92 -37.77 5.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.507 -0.315 . . . . 11.37 111.326 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -81.37 141.89 33.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.739 0.304 . . . . 13.64 110.441 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 p -72.67 108.77 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.12 -0.491 . . . . 13.75 110.815 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -95.21 -81.65 0.39 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.916 -0.584 . . . . 16.47 110.128 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -136.93 98.27 3.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.177 0.513 . . . . 14.75 111.122 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.45 17.88 13.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.719 0.771 . . . . 17.05 109.148 173.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -73.1 133.67 44.24 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.356 -1.293 . . . . 14.47 111.356 -175.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -71.63 105.2 3.58 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.587 -0.733 . . . . 18.27 111.36 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -92.56 88.36 6.29 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.192 -0.913 . . . . 15.08 109.574 174.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.575 ' HA ' ' HA2' ' A' ' 109' ' ' GLY . 19.5 m-20 -84.2 90.72 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.017 -0.538 . . . . 16.29 110.559 -176.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.49 168.72 40.2 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.89 -0.595 . . . . 14.8 111.747 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -66.99 -30.94 76.69 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.066 -0.588 . . . . 16.02 113.019 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.21 -50.75 43.1 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.107 -0.568 . . . . 15.61 112.885 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.4 t -80.09 -39.0 30.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.851 0.357 . . . . 16.05 111.032 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.8 -51.22 0.53 Allowed Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.197 -0.761 . . . . 16.77 111.197 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.575 ' HA2' ' HA ' ' A' ' 103' ' ' ASP . . . 109.72 -152.71 17.15 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.568 -0.825 . . . . 17.38 112.572 175.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.1 m -75.0 -14.17 60.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.732 0.301 . . . . 18.07 111.113 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 111' ' ' LEU . 4.2 pp -67.81 145.05 55.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.034 0.445 . . . . 17.15 110.144 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -120.46 146.4 46.29 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.105 -0.498 . . . . 15.45 109.883 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -70.92 111.65 6.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.946 0.403 . . . . 17.85 110.203 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.419 ' HE3' ' HB3' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -72.93 164.71 26.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.101 -0.333 . . . . 14.83 110.101 -178.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' A' ' 214' ' ' PHE . 49.2 mm -72.78 120.39 21.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.185 -0.461 . . . . 12.01 109.896 178.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.407 ' HB2' HG21 ' A' ' 119' ' ' VAL . 17.0 m120 -86.77 152.34 53.87 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 109.501 -0.555 . . . . 11.89 109.501 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.23 -29.77 84.96 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.437 2.091 . . . . 11.3 111.771 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -69.42 -25.58 64.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.589 . . . . 11.18 110.981 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.407 HG21 ' HB2' ' A' ' 116' ' ' ASN . 45.1 t -68.52 -32.81 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.154 0.502 . . . . 8.95 109.817 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 24.2 mmt -62.39 -32.59 73.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.812 -0.631 . . . . 9.07 110.452 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -74.57 -31.14 61.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 7.57 110.44 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.429 ' O ' HG22 ' A' ' 126' ' ' VAL . 94.0 mmm -67.59 -46.62 72.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.154 -0.476 . . . . 7.62 110.176 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 127' ' ' GLU . 61.6 mt -68.88 -31.12 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.551 . . . . 5.77 110.227 177.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 10.9 t70 -54.23 -50.13 67.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.95 -0.568 . . . . 4.81 110.067 176.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.594 ' O ' ' HG2' ' A' ' 129' ' ' LYS . 25.7 m -61.01 -40.36 93.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.656 -0.702 . . . . 4.31 110.521 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.62 HG13 HD23 ' A' ' 204' ' ' LEU . 85.7 t -58.56 -44.7 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.551 . . . . 4.22 110.671 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 123' ' ' ILE . 48.1 mt-10 -64.85 -40.78 95.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.396 . . . . 4.32 110.665 177.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.609 ' HA ' ' HE3' ' A' ' 131' ' ' MET . 47.4 mmtm -59.48 -41.14 89.09 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.162 -0.472 . . . . 4.91 110.604 178.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 125' ' ' SER . 32.3 mmmt -61.87 -41.22 97.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 5.02 111.082 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -54.55 -45.58 73.48 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.863 0.363 . . . . 3.16 110.747 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.609 ' HE3' ' HA ' ' A' ' 128' ' ' LYS . 64.1 mtm -60.79 -47.19 87.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.878 -0.601 . . . . 3.96 110.865 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 m -66.77 -36.1 81.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.425 -0.352 . . . . 1.99 111.074 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.475 HD11 ' HG1' ' A' ' 83' ' ' THR . 3.6 mm? -60.25 -48.47 81.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.41 . . . . 2.57 110.662 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -68.57 -38.67 80.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.078 -0.51 . . . . 4.02 110.575 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -60.43 -48.97 79.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.806 -0.634 . . . . 1.92 111.118 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' MET . . . . . 0.548 ' O ' HG23 ' A' ' 140' ' ' VAL . 61.4 mtm -60.13 -47.52 85.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.644 -0.253 . . . . 1.63 110.612 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 74.7 mmm -57.06 -43.68 82.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 1.97 111.066 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -69.25 -27.05 65.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.993 0.425 . . . . 3.84 110.451 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 39.6 m -73.31 -36.75 66.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.185 -0.461 . . . . 1.61 110.282 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 136' ' ' MET . 84.9 t -60.45 -51.88 67.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.946 -0.57 . . . . 1.79 110.741 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 8.5 mp -67.14 -29.5 69.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 2.05 111.604 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -61.72 -47.95 82.93 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.317 0.579 . . . . 3.34 110.015 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.617 ' HA ' ' HD2' ' A' ' 146' ' ' LYS . 5.8 m-20 -70.46 -29.42 65.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 1.64 110.376 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.727 ' HB2' ' HH ' ' A' ' 72' ' ' TYR . 53.4 tttm -55.83 -46.5 78.12 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.317 -0.401 . . . . 2.41 110.247 173.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.563 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 29.5 m170 -56.03 -46.14 78.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.894 -0.593 . . . . 0.97 109.785 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.617 ' HD2' ' HA ' ' A' ' 143' ' ' ASP . 90.2 mttt -57.75 -43.84 85.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.627 -0.715 . . . . 3.26 111.072 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 143' ' ' ASP . 69.5 mt -58.9 -48.77 85.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 1.32 110.462 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.74 -29.23 69.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.763 -0.653 . . . . 2.39 111.036 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.563 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 43.5 mt-10 -63.3 -48.75 76.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.504 -0.554 . . . . 2.47 109.504 172.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.456 HG23 ' HB3' ' A' ' 44' ' ' PHE . 34.0 m -59.39 -44.26 92.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.233 -0.894 . . . . 1.44 110.835 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 147' ' ' ILE . 83.9 mt -56.31 -47.67 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.317 -0.401 . . . . 1.68 110.601 177.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.67 97.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.065 -0.516 . . . . 1.24 110.946 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 35.8 m -61.34 -44.21 97.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.228 -0.442 . . . . 1.27 111.02 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.473 HD22 ' HB1' ' A' ' 61' ' ' ALA . 8.3 mp -67.08 -39.5 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 1.97 111.043 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.445 ' HA ' ' HE2' ' A' ' 171' ' ' PHE . 21.5 t70 -61.38 -49.88 75.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.193 0.52 . . . . 0.78 110.655 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.553 ' O ' ' HD3' ' A' ' 160' ' ' LYS . 35.1 mt-10 -70.2 -26.69 63.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.602 . . . . 2.52 110.824 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.728 ' HB3' ' HZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -61.59 -38.64 88.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.838 0.351 . . . . 1.28 110.122 176.357 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.467 ' HE3' ' HB ' ' A' ' 168' ' ' THR . 87.2 tttt -70.04 -35.24 74.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.545 . . . . 2.51 110.161 176.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -66.27 -38.25 87.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 4.22 109.95 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.553 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 5.1 mptp? -64.57 -45.79 85.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.842 -0.617 . . . . 3.38 110.177 173.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -54.55 114.63 1.75 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.496 -0.775 . . . . 1.97 111.362 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 8.3 m -107.64 2.26 23.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.802 -0.635 . . . . 4.06 110.345 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -158.98 86.73 0.12 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.951 -0.642 . . . . 3.39 112.155 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 178.67 114.37 0.41 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.037 -0.601 . . . . 3.62 111.642 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 9.5 m -104.21 -32.69 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.041 0.448 . . . . 3.61 110.803 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -70.68 111.73 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 4.07 111.362 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 100.27 -38.7 3.01 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.017 -0.611 . . . . 1.78 112.538 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.467 ' HB ' ' HE3' ' A' ' 158' ' ' LYS . 33.7 p -65.43 -43.08 91.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.772 0.32 . . . . 2.0 111.673 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -69.06 -41.43 77.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.509 -0.314 . . . . 4.19 110.826 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' MET . . . . . 0.427 ' HE1' ' HB2' ' A' ' 62' ' ' SER . 13.6 tmm? -63.35 -43.07 98.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.53 109.932 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.6 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 48.8 t80 -56.12 -43.77 78.5 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.601 -0.727 . . . . 0.99 112.071 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.83 -46.74 70.96 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.818 -0.353 . . . . 2.38 111.135 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -67.9 -34.47 76.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 2.29 110.871 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.775 ' HD3' ' HB3' ' A' ' 62' ' ' SER . 67.4 ttt180 -75.85 -30.04 58.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.741 0.305 . . . . 4.06 110.892 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.32 -49.02 78.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 1.78 110.711 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 180' ' ' LYS . 10.5 pt-20 -61.14 -33.75 73.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.4 -0.364 . . . . 1.35 110.434 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -69.85 -43.8 71.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.27 -0.423 . . . . 2.5 110.362 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.17 81.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 1.48 111.156 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.54 -31.38 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 2.23 110.776 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 176' ' ' GLU . 21.6 ttmm -66.67 -40.46 88.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.257 0.551 . . . . 3.56 109.811 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 51.9 m -70.59 -41.26 72.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 1.74 110.307 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.5 ttt -61.65 -32.88 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.609 -0.723 . . . . 1.17 110.805 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.69 84.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 1.26 110.997 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.4 ' NZ ' ' HG2' ' A' ' 180' ' ' LYS . 61.9 mttp -71.18 -45.28 63.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 3.33 110.475 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -70.17 -19.6 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.001 -0.545 . . . . 2.71 111.062 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.16 -33.54 76.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.174 0.511 . . . . 1.16 109.993 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.76 -37.31 79.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 3.01 109.703 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 191' ' ' GLU . 26.0 tptp -65.6 -40.0 92.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.51 -0.768 . . . . 3.19 109.742 176.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.57 ' HA ' HG11 ' A' ' 76' ' ' VAL . 24.4 tp -59.86 -50.78 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.576 -0.738 . . . . 1.95 110.386 174.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -59.71 -33.47 71.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 2.72 111.267 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 188' ' ' LYS . 33.5 tt0 -57.11 -53.86 53.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 2.86 110.876 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' ILE . . . . . 0.852 HD11 HG13 ' A' ' 76' ' ' VAL . 63.5 mt -68.58 -38.62 79.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 1.6 110.977 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 11.8 m -59.13 -46.29 88.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.008 0.433 . . . . 2.11 110.57 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . 0.576 ' OE1' ' HD2' ' A' ' 197' ' ' ARG . 4.7 tp10 -65.33 -41.89 93.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.789 -0.642 . . . . 3.84 110.197 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 48.2 tp -55.81 -52.58 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.668 -0.696 . . . . 4.02 110.647 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.505 ' O ' HG21 ' A' ' 200' ' ' ILE . 60.2 tp -59.11 -58.03 10.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 3.89 111.136 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' ARG . . . . . 0.576 ' HD2' ' OE1' ' A' ' 194' ' ' GLU . 5.8 ptp180 -60.11 -35.22 74.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.792 0.293 . . . . 6.49 111.792 -173.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.73 -40.62 40.5 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.977 0.362 . . . . 4.3 111.977 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.89 -37.81 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.582 0.586 . . . . 5.29 112.582 -171.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.505 HG21 ' O ' ' A' ' 196' ' ' LEU . 10.5 tt -71.55 -26.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.484 -0.486 . . . . 3.27 110.989 -175.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.427 ' HB3' ' CD ' ' A' ' 202' ' ' PRO . 8.4 tp10 -61.99 -57.61 22.82 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.395 -0.366 . . . . 6.5 111.037 -177.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' PRO . . . . . 0.427 ' CD ' ' HB3' ' A' ' 201' ' ' GLU . 38.5 Cg_endo -67.14 -24.13 44.96 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 121.738 1.625 . . . . 7.52 112.02 175.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -72.71 -36.54 67.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 7.15 110.251 -177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.62 HD23 HG13 ' A' ' 126' ' ' VAL . 0.2 OUTLIER -75.35 -41.72 55.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.824 -0.806 . . . . 6.12 108.824 172.5 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.421 ' HB3' ' HA ' ' A' ' 202' ' ' PRO . 36.7 tt0 -55.0 -47.54 74.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.312 -0.858 . . . . 9.31 112.155 -177.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . 0.526 ' HG3' HD11 ' A' ' 207' ' ' LEU . 1.0 OUTLIER -61.77 -40.95 96.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.189 -0.204 . . . . 10.86 111.191 -178.603 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.57 HD22 HG11 ' A' ' 126' ' ' VAL . 10.5 mp -68.22 -38.11 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 7.6 110.307 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -62.16 -37.7 86.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.798 -0.637 . . . . 9.74 110.26 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.89 -35.4 76.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 13.37 110.523 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 206' ' ' LYS . 41.9 mt-10 -68.37 -28.75 67.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.247 -0.433 . . . . 11.25 110.485 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 207' ' ' LEU . 29.7 mtpp -63.34 -37.76 88.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.303 0.573 . . . . 10.09 109.725 172.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -71.76 -23.95 61.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.498 -0.773 . . . . 12.99 110.49 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.66 96.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 13.26 110.554 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . 0.591 ' HB2' ' HB ' ' A' ' 115' ' ' ILE . 75.8 t80 -60.93 -39.66 90.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.022 0.439 . . . . 14.02 110.131 176.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.84 -23.56 60.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.557 -0.747 . . . . 11.97 110.849 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.07 -37.84 72.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 12.73 109.926 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -76.34 -50.94 12.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.942 -0.572 . . . . 14.13 110.2 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -114.12 113.64 24.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.733 -0.667 . . . . 15.76 110.484 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -88.51 -64.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.811 0.339 . . . . 15.78 110.529 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 23.4 p -91.1 81.49 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.308 0.575 . . . . 17.94 111.2 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.425 -0.798 . . . . 17.45 110.193 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 111.713 -0.555 . . . . 21.59 111.713 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -92.53 145.69 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.765 0.317 . . . . 21.37 110.342 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.4 mtp -88.33 -41.5 12.83 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.378 -0.601 . . . . 18.72 109.378 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -157.84 99.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.419 -0.81 . . . . 18.04 109.483 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.09 144.47 44.95 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.911 -0.586 . . . . 14.86 110.182 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.14 118.66 3.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 12.67 110.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.0 p -76.71 151.0 82.32 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.937 -0.574 . . . . 10.33 111.427 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.94 -9.92 21.07 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.647 2.231 . . . . 9.43 111.912 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.4 mtt -120.24 152.63 37.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.545 -0.752 . . . . 8.64 109.941 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 58.89 94.86 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.101 0.876 . . . . 7.1 111.926 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -92.27 128.14 38.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.812 -0.631 . . . . 6.84 110.265 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.3 t -109.22 101.76 46.5 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.884 -0.598 . . . . 3.56 109.932 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.05 102.09 1.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.65 2.233 . . . . 2.04 111.543 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.31 -37.82 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.726 -0.67 . . . . 2.8 110.124 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.507 HD12 ' N ' ' A' ' 16' ' ' ALA . 1.4 pp -64.81 -25.33 67.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.69 -0.686 . . . . 2.67 111.564 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.507 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -78.73 -42.52 28.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 1.51 110.327 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -62.85 -41.01 99.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 2.85 110.087 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' O ' ' HG2' ' A' ' 22' ' ' MET . 44.6 t80 -57.9 -39.8 78.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.463 -0.79 . . . . 1.72 111.067 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 7.8 mm-40 -60.82 -42.27 97.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 2.43 111.297 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -58.49 -47.26 84.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.015 -0.539 . . . . 1.99 109.789 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -61.09 -44.01 98.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.299 -0.864 . . . . 1.36 111.049 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 26.9 mmt -64.44 -50.26 68.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 2.03 111.465 -176.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -65.33 -39.32 92.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.901 0.382 . . . . 3.79 110.179 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.796 ' HA ' ' HB3' ' A' ' 29' ' ' LYS . 42.0 ttm -60.15 -45.05 94.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.515 . . . . 2.09 110.856 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.26 -51.55 36.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.349 -0.387 . . . . 1.46 111.655 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.3 p -66.57 -44.92 80.99 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.434 0.531 . . . . 1.75 112.434 -173.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.57 1.82 24.56 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.318 0.58 . . . . 2.5 110.739 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 m120 65.4 21.4 11.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.65 -0.705 . . . . 2.77 110.129 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.796 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 81.2 tttt -63.85 -31.97 73.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.993 -1.003 . . . . 3.7 110.191 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.755 ' HB ' ' HG2' ' A' ' 24' ' ' MET . 4.2 tt -60.56 100.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.687 0.756 . . . . 1.4 111.439 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 29.5 m-80 -75.01 157.37 35.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.731 -0.84 . . . . 2.15 108.731 174.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.1 77.34 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 111.619 0.229 . . . . 1.51 111.619 -174.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.81 -33.89 73.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.979 0.418 . . . . 1.75 111.131 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 2.1 p-10 -110.48 14.28 22.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 1.45 111.062 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 21.8 t -70.61 -21.74 62.62 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.644 -1.243 . . . . 1.76 107.644 171.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.406 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 62.9 m95 -79.18 152.54 30.62 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 114.306 -1.315 . . . . 0.94 109.824 175.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 90.0 m-20 69.94 1.35 3.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.018 -0.992 . . . . 2.77 111.698 -175.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.803 ' HB3' HD13 ' A' ' 71' ' ' ILE . 10.6 m-85 -106.35 96.94 6.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.018 0.437 . . . . 2.08 111.073 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.96 121.54 19.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.062 -0.517 . . . . 1.52 109.981 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD23 HG21 ' A' ' 71' ' ' ILE . 4.0 mm? -69.47 -16.55 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.375 -0.375 . . . . 2.26 111.853 -175.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 1.054 HG21 ' HB3' ' A' ' 146' ' ' LYS . 40.8 mm -57.03 -29.82 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 2.48 111.217 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.67 -35.61 72.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.921 0.391 . . . . 2.45 110.342 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -75.28 -32.05 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 2.15 110.512 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.71 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 58.6 m-85 -68.98 -41.13 78.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.004 -0.544 . . . . 2.68 111.118 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -75.8 -23.58 55.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.175 0.512 . . . . 1.84 110.31 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.64 -60.65 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.53 -0.759 . . . . 2.94 110.913 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.649 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 57.3 mtt 59.2 28.69 18.08 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.711 0.634 . . . . 1.99 112.711 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -97.38 -34.05 11.19 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.699 -0.852 . . . . 4.03 108.699 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 tp -89.28 -45.93 9.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.319 -0.855 . . . . 2.71 110.921 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.68 -34.49 52.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.42 . . . . 3.85 111.383 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.668 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.8 ttpt -99.54 131.91 45.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.747 -0.464 . . . . 3.76 109.747 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -113.28 106.1 14.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.308 0.575 . . . . 2.55 109.919 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.83 -107.54 3.15 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.524 -0.762 . . . . 1.75 111.973 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -121.06 0.84 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.07 0.462 . . . . 2.87 110.552 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -125.16 135.11 52.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.746 -0.465 . . . . 2.03 109.746 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.668 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 12.0 p -95.57 131.56 42.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.319 0.58 . . . . 1.26 109.859 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.548 ' OD1' ' HB3' ' A' ' 59' ' ' GLN . 28.7 t-20 -77.34 101.93 6.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.43 -0.805 . . . . 2.33 109.246 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.673 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 88.8 m-85 -67.51 -9.65 44.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.535 -0.757 . . . . 1.02 111.204 -175.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.548 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 7.1 tt0 -71.43 -56.14 6.53 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.839 -0.8 . . . . 1.97 108.839 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.489 ' HZ2' ' HB2' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -70.77 -28.06 64.39 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.023 -0.989 . . . . 2.82 109.79 177.361 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.673 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -65.36 -38.07 88.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 1.25 110.547 175.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.4 m -62.37 -44.35 96.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.869 0.366 . . . . 1.46 110.375 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.8 t -61.0 -44.14 97.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 1.79 110.513 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.1 m -68.25 -41.47 81.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 1.96 111.042 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.6 tp -66.18 -43.65 86.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 2.2 110.77 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.04 -47.72 84.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.148 -0.478 . . . . 0.82 110.412 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.59 -33.21 83.83 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.61 111.954 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.54 ' HA ' HG23 ' A' ' 71' ' ' ILE . 49.6 t -63.61 -42.2 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.432 0.158 . . . . 1.93 110.746 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.76 -41.92 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.064 0.459 . . . . 2.13 110.082 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.42 -47.61 72.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 3.41 111.388 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.803 HD13 ' HB3' ' A' ' 38' ' ' PHE . 18.2 tt -71.25 -34.26 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.753 0.311 . . . . 1.8 111.1 -176.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.461 ' OH ' ' HB2' ' A' ' 144' ' ' LYS . 71.3 t80 -59.74 -46.38 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.044 0.45 . . . . 1.14 110.415 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.438 HG23 ' HD2' ' A' ' 185' ' ' LYS . 6.5 p -75.37 -25.32 57.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.721 -0.672 . . . . 1.34 111.598 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.0 m -64.79 -34.99 79.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.136 0.493 . . . . 1.89 109.848 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 71' ' ' ILE . 65.4 mtp180 -65.51 -42.38 92.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.817 -0.629 . . . . 2.35 109.533 174.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.613 HG21 HG13 ' A' ' 140' ' ' VAL . 62.0 t -57.86 -41.3 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.352 -0.84 . . . . 1.48 110.457 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.1 -31.96 71.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.984 -0.553 . . . . 1.87 110.452 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.8 t -66.37 -48.94 68.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.08 -0.509 . . . . 1.71 111.12 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.406 ' HB ' ' CH2' ' A' ' 36' ' ' TRP . 5.6 p -67.44 -34.05 66.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 2.02 110.834 -178.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.526 ' HB3' ' CD1' ' A' ' 192' ' ' ILE . . . -63.63 -44.96 92.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 1.45 110.797 176.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 m -61.66 -40.62 95.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 2.29 109.989 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.402 ' HB3' HD12 ' A' ' 133' ' ' LEU . 21.5 tp10 -68.08 -33.34 74.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.511 -0.768 . . . . 2.42 110.214 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.7 m -69.08 -33.97 74.38 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.111 -0.495 . . . . 3.15 110.578 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.06 -29.23 70.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.142 -0.551 . . . . 4.2 112.138 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.53 -34.73 77.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.673 0.273 . . . . 4.88 110.489 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.418 HD13 ' HG ' ' A' ' 133' ' ' LEU . 80.8 mt -66.49 -45.66 78.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.177 0.513 . . . . 5.71 109.634 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.5 tp -62.41 -44.73 95.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.403 -0.817 . . . . 6.68 110.609 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.5 t -56.79 -41.94 78.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 8.18 110.411 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.49 87.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.914 -0.66 . . . . 8.78 112.152 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.92 -36.13 76.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.083 0.468 . . . . 8.69 110.97 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.98 50.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 10.13 111.267 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -71.49 -42.85 67.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.405 -0.361 . . . . 12.11 111.1 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.5 m -72.87 -11.64 60.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 11.83 111.666 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -75.8 -37.14 59.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.113 0.482 . . . . 11.37 109.885 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -83.56 105.09 14.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.755 -0.657 . . . . 13.64 110.537 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.4 t -86.73 127.36 34.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.584 -0.734 . . . . 13.75 109.208 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -104.53 80.44 1.68 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.015 0.436 . . . . 16.47 110.81 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -167.79 120.1 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.701 -0.682 . . . . 14.75 110.512 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -83.79 92.94 7.86 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.079 -0.711 . . . . 17.05 109.079 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -63.91 114.39 4.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.608 -0.724 . . . . 14.47 111.309 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -74.51 -30.13 61.68 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.989 -0.745 . . . . 18.27 108.989 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.87 144.77 51.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.64 -1.163 . . . . 15.08 108.755 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.29 143.53 52.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.809 0.338 . . . . 16.29 110.614 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.83 0.39 78.0 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.193 -0.527 . . . . 14.8 112.924 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -95.97 -146.77 21.54 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.693 -0.765 . . . . 16.02 111.833 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.69 -11.3 72.52 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.919 -0.658 . . . . 15.61 112.645 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.4 t 66.0 -76.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 123.386 0.675 . . . . 16.05 111.048 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.89 -121.39 0.56 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.972 -0.632 . . . . 16.77 111.866 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 142.33 -77.47 0.29 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.134 -0.786 . . . . 17.38 111.134 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.7 p -116.82 -6.14 11.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.343 0.592 . . . . 18.07 110.229 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.9 mt -115.41 -174.7 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.616 -0.72 . . . . 17.15 110.474 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -74.4 174.01 9.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.205 -0.452 . . . . 15.45 110.464 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -89.94 143.84 26.44 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.006 -0.368 . . . . 17.85 110.006 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -85.34 -170.58 3.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.468 -0.333 . . . . 14.83 110.27 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.7 mt -48.66 127.52 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.335 0.588 . . . . 12.01 111.252 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.943 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . 18.7 m120 -71.47 143.56 87.89 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.0 -1.0 . . . . 11.89 111.34 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.79 -23.16 74.39 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.836 2.357 . . . . 11.3 112.076 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.943 ' HD3' ' HB3' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -72.15 -5.31 34.7 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 118.69 -0.671 . . . . 11.18 111.411 176.371 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.631 ' HB ' ' O ' ' A' ' 116' ' ' ASN . 1.0 OUTLIER -51.4 -15.39 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 124.221 0.951 . . . . 8.95 112.668 -175.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.476 ' O ' ' HB ' ' A' ' 123' ' ' ILE . 2.6 mtm -48.46 -24.52 1.3 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 124.132 0.973 . . . . 9.07 112.462 172.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.504 ' HB2' HD21 ' A' ' 215' ' ' LEU . 8.1 p30 -60.72 -32.71 71.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.07 -0.514 . . . . 7.57 111.324 177.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.0 ttt -62.63 -33.45 75.05 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.308 0.575 . . . . 7.62 110.597 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.637 HG22 ' HG ' ' A' ' 207' ' ' LEU . 78.6 mt -51.12 -23.28 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 114.849 -1.069 . . . . 5.77 112.44 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -44.61 -28.78 0.64 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.9 0.704 . . . . 4.81 112.9 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.0 t -52.26 -30.83 29.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.713 0.405 . . . . 4.31 111.6 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.796 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 35.8 m -55.27 -38.08 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 111.858 0.318 . . . . 4.22 111.858 -177.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 131' ' ' MET . 53.6 mt-10 -72.95 -29.51 63.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.855 0.36 . . . . 4.32 111.217 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -62.76 -47.64 82.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.938 -0.573 . . . . 4.91 110.273 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.796 ' HE3' ' HA ' ' A' ' 126' ' ' VAL . 22.0 pttp -71.51 -27.3 63.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 5.02 111.287 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -71.41 -32.18 68.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.485 -0.325 . . . . 3.16 111.44 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 88.4 mmm -55.95 -38.89 70.95 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.221 0.452 . . . . 3.96 112.221 -176.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.6 p -64.33 -40.85 96.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.106 0.479 . . . . 1.99 110.408 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.418 ' HG ' HD13 ' A' ' 86' ' ' LEU . 4.5 mm? -60.2 -51.2 70.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.668 -0.696 . . . . 2.57 110.975 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -62.59 -39.96 95.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.083 -0.508 . . . . 4.02 110.168 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -61.73 -43.77 98.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 1.92 110.797 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' MET . . . . . 0.472 ' O ' HG21 ' A' ' 140' ' ' VAL . 73.9 mtm -65.99 -39.68 90.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.76 -0.2 . . . . 1.63 110.693 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 82.7 mmm -59.54 -44.87 93.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.01 0.433 . . . . 1.97 110.528 174.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -63.95 -34.98 79.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.627 . . . . 3.84 110.464 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 52.7 m -65.9 -44.27 85.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.732 -0.667 . . . . 1.61 110.446 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.613 HG13 HG21 ' A' ' 76' ' ' VAL . 79.6 t -57.04 -47.9 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 1.79 110.75 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.501 HD23 HD22 ' A' ' 189' ' ' LEU . 54.3 mt -67.56 -33.45 75.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.281 -0.418 . . . . 2.05 110.702 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.724 ' HG2' ' HE3' ' A' ' 146' ' ' LYS . 40.6 ttmt -60.57 -45.9 92.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 3.34 109.901 175.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.885 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 63.6 m-20 -66.76 -28.43 68.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 1.64 111.428 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.461 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 39.9 ttmt -61.46 -36.7 81.15 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.562 -0.533 . . . . 2.41 109.562 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.46 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 35.4 m80 -63.97 -36.78 85.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.97 110.418 175.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 1.054 ' HB3' HG21 ' A' ' 41' ' ' ILE . 1.4 mptm? -62.24 -35.84 80.16 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.986 0.422 . . . . 3.26 110.46 174.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.515 HG12 HD12 ' A' ' 41' ' ' ILE . 69.8 mt -63.02 -43.06 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 1.32 110.554 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.95 -43.91 98.02 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.308 -0.405 . . . . 2.39 110.458 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 38.2 mt-10 -58.61 -39.11 79.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 121.252 0.548 . . . . 2.47 110.104 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.425 HG23 ' HB3' ' A' ' 44' ' ' PHE . 61.3 m -68.17 -52.83 30.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.411 -0.813 . . . . 1.44 111.352 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 51.0 mm -58.9 -42.95 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.403 . . . . 1.68 110.382 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 156' ' ' GLU . . . -59.71 -53.52 57.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.758 -0.655 . . . . 1.24 110.888 177.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 56.7 m -61.8 -43.75 98.22 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.489 -0.323 . . . . 1.27 111.6 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 7.9 mp -62.94 -36.9 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 1.97 111.023 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.517 ' HA ' ' HD3' ' A' ' 158' ' ' LYS . 18.2 t70 -74.7 -25.12 58.93 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.826 -0.349 . . . . 0.78 110.367 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 152' ' ' ALA . 24.6 mm-40 -68.82 -31.15 69.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 2.52 110.402 175.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -63.3 -40.09 96.38 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.675 -0.491 . . . . 1.28 109.675 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.64 ' HD2' ' HD2' ' A' ' 171' ' ' PHE . 8.1 mtpm? -64.36 -35.19 80.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.685 -0.689 . . . . 2.51 110.106 174.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -65.64 -49.63 67.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.274 -0.876 . . . . 4.22 110.928 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -75.75 -34.74 60.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 3.38 111.35 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 168' ' ' THR . . . -129.24 99.12 5.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.454 -0.339 . . . . 1.97 110.896 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 5.4 p -86.46 -61.72 1.68 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.017 0.436 . . . . 4.06 110.535 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -78.39 118.9 5.02 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.91 -0.662 . . . . 3.39 111.779 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 173.38 -173.36 45.7 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.757 -0.735 . . . . 3.62 111.998 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 43.1 m -106.11 11.52 31.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.828 0.346 . . . . 3.61 110.934 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 4.07 111.015 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 103.7 28.77 5.84 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.972 -0.633 . . . . 1.78 111.569 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 161' ' ' ALA . 18.9 p -56.36 -49.64 73.82 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.906 0.483 . . . . 2.0 112.274 -176.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -71.85 -31.33 66.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.146 0.498 . . . . 4.19 110.745 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 47.2 ttp -71.04 -34.66 71.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.062 -0.517 . . . . 1.53 110.024 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.659 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 83.4 t80 -67.53 -27.92 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.99 110.6 176.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.13 -46.6 80.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.075 0.464 . . . . 2.38 110.035 176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.3 -39.15 89.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 2.29 110.501 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -69.68 -37.78 76.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.73 -0.668 . . . . 4.06 110.596 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -55.76 -54.95 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 1.78 111.04 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.37 -37.3 85.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 1.35 111.671 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.83 -41.69 71.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 2.5 110.989 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -66.66 -49.67 65.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 1.48 111.175 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.83 -31.75 72.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.64 -0.254 . . . . 2.23 111.065 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -69.5 -45.71 68.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.477 -0.329 . . . . 3.56 110.896 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' THR . . . . . 0.438 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 7.2 t -73.31 -28.9 62.35 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.072 0.463 . . . . 1.74 109.955 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 25.3 ttt -65.47 -47.98 74.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.042 -0.526 . . . . 1.17 110.124 175.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -66.6 -29.94 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.045 -0.525 . . . . 1.26 111.701 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 181' ' ' THR . 6.6 pttp -72.76 -44.55 61.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.458 0.647 . . . . 3.33 109.795 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.438 ' HD2' HG23 ' A' ' 73' ' ' THR . 20.4 ttmm -78.24 -8.47 58.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.361 -0.836 . . . . 2.71 110.519 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.44 -27.71 65.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.43 -0.804 . . . . 1.16 110.752 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 91.8 mt -53.04 -45.79 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 3.01 111.635 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . 0.536 ' O ' HG13 ' A' ' 192' ' ' ILE . 21.9 ptmt -68.9 -28.92 67.12 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 121.036 -0.265 . . . . 3.19 110.751 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.501 HD22 HD23 ' A' ' 141' ' ' LEU . 7.1 tt -65.61 -50.26 65.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.402 -0.592 . . . . 1.95 109.402 177.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -19.24 62.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.719 -0.673 . . . . 2.72 110.724 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 5.9 tp10 -65.81 -45.5 82.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.139 -0.689 . . . . 2.86 109.139 174.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 188' ' ' LYS . 58.8 mt -59.3 -51.31 74.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.608 -0.724 . . . . 1.6 110.971 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 24.6 p -58.97 -37.97 78.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.931 0.396 . . . . 2.11 110.851 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.01 -52.55 34.36 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.899 -0.591 . . . . 3.84 110.497 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 74.0 mt -61.72 -43.15 99.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.499 -0.319 . . . . 4.02 111.457 -176.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.19 -46.15 90.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.864 0.364 . . . . 3.89 110.537 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' ARG . . . . . 0.428 ' O ' ' HD3' ' A' ' 202' ' ' PRO . 40.8 ttp180 -81.05 -32.96 33.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.907 -0.588 . . . . 6.49 111.999 -174.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 202' ' ' PRO . 26.9 t70 -91.09 -34.74 14.95 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.374 0.509 . . . . 4.3 112.374 -174.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -98.49 -60.74 1.49 Allowed 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.728 -0.389 . . . . 5.29 111.264 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 58.8 mt -74.6 -48.33 35.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 3.27 111.882 -172.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.471 ' HB3' ' HD3' ' A' ' 202' ' ' PRO . 34.9 tt0 -54.01 -51.2 79.31 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 113.056 0.762 . . . . 6.5 113.056 -175.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 201' ' ' GLU . 48.1 Cg_exo -58.18 -33.67 97.74 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 121.711 1.607 . . . . 7.52 112.499 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.02 -46.23 53.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 7.15 110.212 178.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.545 HD12 HG22 ' A' ' 126' ' ' VAL . 0.2 OUTLIER -66.58 -35.58 80.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.643 -0.708 . . . . 6.12 110.179 -178.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.23 -29.7 58.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.497 -0.774 . . . . 9.31 111.167 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . 0.703 ' O ' ' HG2' ' A' ' 210' ' ' GLU . 39.1 tttp -64.38 -56.49 14.02 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.359 -0.382 . . . . 10.86 109.997 175.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.637 ' HG ' HG22 ' A' ' 123' ' ' ILE . 2.6 mm? -59.19 -27.9 66.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 7.6 110.739 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . 0.963 ' HA ' ' HE3' ' A' ' 211' ' ' LYS . 25.9 ttt180 -67.91 -43.91 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.006 -0.543 . . . . 9.74 110.411 176.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.47 -44.13 71.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.781 -0.645 . . . . 13.37 111.824 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . 0.703 ' HG2' ' O ' ' A' ' 206' ' ' LYS . 5.3 mm-40 -56.48 -29.66 62.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.492 -0.776 . . . . 11.25 112.697 -171.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' LYS . . . . . 0.963 ' HE3' ' HA ' ' A' ' 208' ' ' ARG . 80.0 mttt -55.63 -37.52 68.3 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.035 0.754 . . . . 10.09 113.035 -169.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.445 ' HA ' ' HD3' ' A' ' 212' ' ' ARG . 28.4 mmt180 -48.65 -60.15 2.95 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.863 0.69 . . . . 12.99 112.863 -167.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.98 -23.59 25.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.098 0.475 . . . . 13.26 110.766 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . 0.449 ' HA ' ' HB2' ' A' ' 118' ' ' LYS . 5.2 m-30 -68.72 -27.32 65.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.982 -0.554 . . . . 14.02 112.352 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 211' ' ' LYS . 90.7 mt -47.76 -21.98 0.47 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.758 0.651 . . . . 11.97 112.758 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -47.05 -36.44 8.05 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.294 0.638 . . . . 12.73 112.406 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . 0.464 ' HD1' ' HB2' ' A' ' 116' ' ' ASN . 34.9 t80 -50.75 -56.57 11.4 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.806 0.336 . . . . 14.13 111.389 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -90.09 -17.65 27.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.261 -0.427 . . . . 15.76 111.604 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -70.34 -36.99 74.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.104 -0.498 . . . . 15.78 111.581 -174.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 2.3 t -147.34 105.3 3.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.762 0.791 . . . . 17.94 110.853 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.932 0 CA-C-N 115.089 -0.959 . . . . 17.45 111.074 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.765 -0.534 . . . . 21.59 111.765 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 68.84 -70.99 0.12 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.311 0.644 . . . . 21.37 111.733 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 34.4 ttm -130.46 112.98 13.73 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.337 -0.245 . . . . 18.72 110.337 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -122.58 102.04 7.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.903 0.382 . . . . 18.04 110.517 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.0 166.51 11.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.999 -0.546 . . . . 14.86 109.998 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -85.52 102.05 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.914 0.387 . . . . 12.67 110.147 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.537 HG23 ' HG2' ' A' ' 9' ' ' MET . 5.1 m -75.07 131.5 78.56 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.205 -0.452 . . . . 10.33 110.355 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -79.93 42.84 1.39 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.841 3.027 . . . . 9.43 112.575 -175.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.537 ' HG2' HG23 ' A' ' 7' ' ' THR . 90.1 mmm -93.38 6.9 46.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.259 -0.428 . . . . 8.64 111.216 -178.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -92.81 97.37 10.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.177 0.513 . . . . 7.1 110.032 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -107.23 132.25 53.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.869 -0.605 . . . . 6.84 110.353 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.86 128.61 93.4 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.652 -0.499 . . . . 3.56 109.652 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.48 91.79 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.688 2.258 . . . . 2.04 111.699 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.482 HG22 ' CE2' ' A' ' 43' ' ' TYR . 21.6 mt -65.05 -37.65 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.663 -0.699 . . . . 2.8 111.256 -176.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 80.4 mt -61.45 -47.3 86.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.888 0.375 . . . . 2.67 110.151 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.21 83.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.9 -0.591 . . . . 1.51 111.115 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.78 ' ND2' ' HH ' ' A' ' 43' ' ' TYR . 6.8 t30 -61.2 -40.12 92.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 2.85 110.909 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.479 ' O ' ' HG2' ' A' ' 22' ' ' MET . 83.7 t80 -65.39 -48.33 73.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.055 -0.52 . . . . 1.72 110.449 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 44.7 mt-10 -60.79 -36.87 80.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.276 -0.42 . . . . 2.43 110.748 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.74 -47.35 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 1.99 110.367 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' A' ' 38' ' ' PHE . 45.0 m0 -65.43 -38.91 91.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.028 -0.533 . . . . 1.36 111.016 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.517 ' HE3' ' HA ' ' A' ' 22' ' ' MET . 28.9 mmt -61.15 -43.48 98.82 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.82 -0.437 . . . . 2.03 109.82 177.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.75 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.21 -39.28 89.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.645 -0.707 . . . . 3.79 110.235 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 80.0 mmm -58.38 -44.19 88.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.541 . . . . 2.09 110.806 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.64 72.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 1.46 111.733 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 p -71.99 -36.86 69.9 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.801 0.297 . . . . 1.75 111.801 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.89 -11.41 59.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.64 0.257 . . . . 2.5 110.524 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.1 t30 60.66 40.3 16.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.934 0.874 . . . . 2.77 109.903 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -83.56 -4.42 58.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.494 -0.776 . . . . 3.7 109.931 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.637 ' HA ' HD22 ' A' ' 34' ' ' ASN . 2.8 tt -78.22 83.63 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.917 0.865 . . . . 1.4 110.442 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -73.23 160.04 32.53 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.643 -0.873 . . . . 2.15 108.643 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.54 -14.05 62.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.107 0.41 . . . . 1.51 112.107 -173.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.35 -34.47 55.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.011 0.434 . . . . 1.75 110.604 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.637 HD22 ' HA ' ' A' ' 30' ' ' ILE . 1.9 p-10 -111.83 13.18 20.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 1.45 111.714 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.441 ' HA ' HG13 ' A' ' 30' ' ' ILE . 6.5 p -72.06 -20.99 61.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.566 0.698 . . . . 1.76 109.23 174.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.449 ' CZ2' ' HB2' ' A' ' 78' ' ' SER . 19.2 m95 -78.49 177.38 8.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.983 -1.008 . . . . 0.94 109.242 171.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.1 0.4 1.25 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.874 1.064 . . . . 2.77 113.874 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.489 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 5.0 p90 -150.11 132.88 15.96 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.682 -0.636 . . . . 2.08 110.314 166.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.575 ' HB3' HG23 ' A' ' 41' ' ' ILE . . . -133.78 123.26 24.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.832 -0.622 . . . . 1.52 110.808 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 mt -69.31 -23.24 63.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.253 -0.431 . . . . 2.26 110.567 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 39' ' ' ALA . 10.0 tp -59.27 -29.15 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.662 -0.699 . . . . 2.48 111.395 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.74 -42.51 93.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 2.45 110.637 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.78 ' HH ' ' ND2' ' A' ' 17' ' ' ASN . 94.6 m-85 -84.43 -28.14 27.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.917 -0.583 . . . . 2.15 111.168 177.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CE2' ' HB ' ' A' ' 150' ' ' THR . 21.5 t80 -67.64 -32.23 72.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.866 -0.606 . . . . 2.68 109.849 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -64.52 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.76 -0.655 . . . . 1.84 111.741 -177.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -103.04 116.69 33.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.809 0.814 . . . . 2.94 109.56 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.547 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 67.9 mtm -90.25 81.01 6.13 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.615 -0.721 . . . . 1.99 111.16 -173.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 t -93.09 -28.92 16.05 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.44 -0.578 . . . . 4.03 109.44 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tt -89.75 -45.41 9.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 2.71 111.688 -175.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.39 -3.67 43.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 3.85 111.875 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 47' ' ' MET . 29.0 ttpp -109.64 132.67 53.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.998 -0.371 . . . . 3.76 109.998 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -107.63 106.62 17.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.332 -0.618 . . . . 2.55 109.332 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.44 -105.75 1.73 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.567 -0.825 . . . . 1.75 111.676 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -121.44 15.09 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.865 0.364 . . . . 2.87 110.423 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 m -130.96 130.62 43.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.07 -0.514 . . . . 2.03 109.646 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.527 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 1.6 p -95.05 132.6 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-O 120.896 0.379 . . . . 1.26 110.345 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -63.43 102.37 0.41 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.344 -0.984 . . . . 2.33 108.344 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.825 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 71.7 m-85 -67.66 -8.35 34.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.791 0.329 . . . . 1.02 111.606 -174.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -70.39 -46.31 64.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.478 -0.934 . . . . 1.97 108.478 171.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -76.11 -33.98 59.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.095 -0.957 . . . . 2.82 110.186 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.67 ' HB2' ' HA ' ' A' ' 58' ' ' PHE . . . -55.9 -44.42 78.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.187 0.517 . . . . 1.25 110.616 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.655 ' HB3' ' HG2' ' A' ' 174' ' ' ARG . 45.6 m -68.92 -44.37 73.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 1.46 111.122 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 84.8 m -66.5 -37.25 84.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.475 -0.33 . . . . 1.79 111.751 -177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -70.12 -43.6 70.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.788 -0.187 . . . . 1.96 110.838 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.0 -46.45 90.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.019 0.438 . . . . 2.2 110.309 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.42 -40.02 92.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.564 -0.744 . . . . 0.82 110.744 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.55 -39.54 86.71 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.92 -0.657 . . . . 0.61 112.198 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.472 ' HA ' HG23 ' A' ' 71' ' ' ILE . 86.3 m -63.59 -42.31 98.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.588 0.218 . . . . 1.93 111.588 -178.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.75 -36.63 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.359 -0.537 . . . . 2.13 110.568 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.67 -50.81 63.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.467 -0.333 . . . . 3.41 111.393 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.545 HG13 ' CD1' ' A' ' 30' ' ' ILE . 12.6 tt -68.35 -34.21 64.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.683 -0.235 . . . . 1.8 110.709 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 144' ' ' LYS . 87.3 t80 -55.35 -56.46 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 1.14 110.625 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 185' ' ' LYS . 17.5 p -70.62 -25.79 63.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.302 -0.408 . . . . 1.34 111.613 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.1 t -63.44 -40.16 96.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.537 0.684 . . . . 1.89 109.342 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.64 ' O ' HG22 ' A' ' 79' ' ' VAL . 40.3 mtp180 -67.9 -30.34 69.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.407 -0.815 . . . . 2.35 109.972 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 72' ' ' TYR . 97.8 t -66.45 -37.11 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.273 -0.421 . . . . 1.48 110.485 175.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.23 -38.27 76.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.148 0.499 . . . . 1.87 109.915 174.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.449 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 7.8 m -62.27 -47.93 82.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.679 -0.691 . . . . 1.71 110.536 173.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.656 ' HA ' ' HB2' ' A' ' 82' ' ' GLU . 3.5 t -62.43 -25.09 36.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-N 115.902 -0.59 . . . . 2.02 110.944 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.558 ' HA ' HG13 ' A' ' 192' ' ' ILE . . . -57.53 -36.86 72.14 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.678 0.275 . . . . 1.45 111.368 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -76.53 -41.48 46.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.124 0.964 . . . . 2.29 109.672 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.928 ' HA ' ' HE2' ' A' ' 85' ' ' LYS . 7.5 mm-40 -68.81 -12.0 61.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.192 -1.367 . . . . 2.42 111.886 -177.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.517 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 27.1 m -51.78 -37.55 51.89 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 122.91 0.484 . . . . 3.15 111.887 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 206' ' ' LYS . . . -62.19 -47.28 90.89 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.068 -1.063 . . . . 4.2 111.506 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.928 ' HE2' ' HA ' ' A' ' 82' ' ' GLU . 2.9 mppt? -57.79 -26.64 62.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.263 -0.468 . . . . 4.88 111.828 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' A' ' 133' ' ' LEU . 77.8 mt -53.29 -22.95 7.89 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.92 0.711 . . . . 5.71 112.92 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.61 ' CD1' ' HB3' ' A' ' 206' ' ' LYS . 17.3 mt -49.8 -26.0 3.56 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.122 0.786 . . . . 6.68 113.122 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 131' ' ' MET . 41.6 p -56.98 -32.76 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 8.18 111.062 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 134' ' ' LYS . . . -66.05 -38.46 94.06 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.365 -0.694 . . . . 8.78 111.365 177.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 7.8 mp -74.14 -44.37 53.96 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.978 -0.378 . . . . 8.69 109.978 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.36 74.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 10.13 111.424 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.46 -41.17 93.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.386 -0.37 . . . . 12.11 110.656 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.7 m -71.31 -30.65 66.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.229 -0.441 . . . . 11.83 110.917 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' A' ' 90' ' ' LEU . 23.9 mmt180 -76.46 -16.49 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.224 -0.288 . . . . 11.37 110.224 177.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.2 t70 57.99 70.29 0.66 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.757 0.789 . . . . 13.64 110.335 -175.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.4 t -151.51 146.63 26.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.248 -0.887 . . . . 13.75 109.441 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -102.06 105.67 16.44 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.3 -0.63 . . . . 16.47 109.3 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -74.62 -29.31 61.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.887 0.375 . . . . 14.75 110.327 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -76.08 166.76 23.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 17.05 110.095 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -77.26 165.72 24.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.828 0.347 . . . . 14.47 110.626 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -76.54 -7.26 54.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.851 0.358 . . . . 18.27 111.38 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -126.83 123.05 36.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.131 0.491 . . . . 15.08 110.779 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -87.15 111.73 21.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.695 -0.684 . . . . 16.29 110.16 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.96 147.38 21.8 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.672 -0.775 . . . . 14.8 112.413 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.57 44.18 0.81 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.564 -0.614 . . . . 16.02 111.564 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -119.49 15.37 10.68 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.666 -0.778 . . . . 15.61 112.527 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.3 m -78.35 104.66 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.919 0.39 . . . . 16.05 110.356 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.94 -40.69 98.75 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.998 -0.546 . . . . 16.77 112.219 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.92 -154.42 21.53 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.639 -0.791 . . . . 17.38 112.423 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.1 t -134.67 104.77 6.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.854 0.359 . . . . 18.07 110.372 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 pp -85.1 -14.62 46.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.348 0.594 . . . . 17.15 110.049 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.576 ' HB2' HD22 ' A' ' 116' ' ' ASN . 53.4 mtt180 -76.48 118.61 19.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.553 -0.749 . . . . 15.45 109.39 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.24 -35.87 66.33 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 111.819 0.303 . . . . 17.85 111.819 -172.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -174.28 4.83 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.883 0.373 . . . . 14.83 110.701 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.9 mt -59.61 125.86 16.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.77 -0.65 . . . . 12.01 111.133 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.576 HD22 ' HB2' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -91.07 151.05 42.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.322 -0.399 . . . . 11.89 110.458 178.117 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -69.08 -34.42 16.89 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.435 2.09 . . . . 11.3 110.561 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -81.1 9.77 6.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.017 -0.992 . . . . 11.18 111.642 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.5 p -51.23 -24.25 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 122.891 0.476 . . . . 8.95 112.052 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -56.79 -21.15 26.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.907 -0.588 . . . . 9.07 111.81 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 124' ' ' ASP . 24.0 m-80 -64.17 -28.64 69.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.985 0.421 . . . . 7.57 110.807 177.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.532 ' HE2' HG22 ' A' ' 220' ' ' THR . 26.5 ttt -67.56 -35.29 78.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.209 -0.663 . . . . 7.62 109.209 175.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.441 ' O ' ' HB ' ' A' ' 126' ' ' VAL . 6.7 mt -65.7 -30.2 49.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.644 -0.707 . . . . 5.77 110.64 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 10.6 t70 -57.29 -39.28 75.4 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.062 0.458 . . . . 4.81 109.878 172.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.4 m -67.24 -33.91 76.34 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.091 -0.504 . . . . 4.31 110.4 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.47 HG23 HD23 ' A' ' 207' ' ' LEU . 95.6 t -61.01 -33.53 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.19 0.519 . . . . 4.22 110.529 176.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 130' ' ' GLU . 5.5 mm-40 -67.0 -42.0 85.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.669 -0.696 . . . . 4.32 110.388 176.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 124' ' ' ASP . 27.5 mmtp -72.88 -45.22 59.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.723 -0.671 . . . . 4.91 111.909 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -62.05 -27.99 69.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.381 -0.827 . . . . 5.02 112.837 -171.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 14.7 pt-20 -55.14 -36.76 66.13 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.907 0.706 . . . . 3.16 112.907 -171.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.464 ' HA ' ' CB ' ' A' ' 88' ' ' SER . 64.7 mtt -63.47 -26.35 68.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.737 0.643 . . . . 3.96 112.737 -171.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -63.52 -33.55 75.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.166 0.508 . . . . 1.99 109.756 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.715 ' HB3' HD23 ' A' ' 86' ' ' LEU . 2.0 mm? -69.51 -33.4 72.77 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 113.434 0.901 . . . . 2.57 113.434 -174.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.408 ' HD2' ' HA2' ' A' ' 89' ' ' GLY . 61.6 tttm -56.21 -45.28 79.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.559 0.695 . . . . 4.02 109.195 175.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -68.72 -47.72 65.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.918 -1.037 . . . . 1.92 111.224 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' MET . . . . . 0.442 ' O ' ' HB ' ' A' ' 139' ' ' THR . 38.2 ttp -70.11 -38.21 75.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.335 0.494 . . . . 1.63 112.335 -172.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -43.39 88.51 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.181 -0.674 . . . . 1.97 109.181 176.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.59 -34.94 73.38 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.624 -0.51 . . . . 3.84 109.624 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 143' ' ' ASP . 91.5 m -61.77 -46.76 88.2 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 115.885 -0.598 . . . . 1.61 110.567 174.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 136' ' ' MET . 63.1 t -63.59 -49.51 82.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.55 -0.296 . . . . 1.79 111.597 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.74 -44.99 95.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.959 0.409 . . . . 2.05 110.797 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.41 ' HG3' ' HD3' ' A' ' 146' ' ' LYS . 22.9 tptm -66.75 -28.51 68.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.026 -0.534 . . . . 3.34 110.138 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.512 ' O ' HG13 ' A' ' 147' ' ' ILE . 0.8 OUTLIER -62.69 -41.27 99.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.82 -0.627 . . . . 1.64 109.813 178.687 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 87.0 tttt -60.38 -44.38 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.46 -0.791 . . . . 2.41 110.112 176.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -66.42 -33.02 74.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.97 110.495 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.41 ' HD3' ' HG3' ' A' ' 142' ' ' LYS . 4.5 mptp? -65.61 -41.87 92.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.897 -0.592 . . . . 3.26 110.599 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.539 ' O ' HG13 ' A' ' 151' ' ' ILE . 72.5 mt -58.3 -44.18 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 1.32 109.756 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 144' ' ' LYS . 35.7 mt-10 -61.48 -32.31 72.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.851 -0.613 . . . . 2.39 111.545 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.94 -52.37 65.3 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.069 0.462 . . . . 2.47 110.221 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.483 ' HB ' ' CE2' ' A' ' 44' ' ' PHE . 61.8 m -66.24 -37.83 86.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.84 -0.618 . . . . 1.44 111.321 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 147' ' ' ILE . 80.9 mt -55.44 -45.5 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.843 0.354 . . . . 1.68 110.203 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.5 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.815 -0.63 . . . . 1.24 110.764 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 156' ' ' GLU . 55.5 m -60.1 -41.03 91.68 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.241 -0.436 . . . . 1.27 111.523 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.512 HD12 ' SD ' ' A' ' 47' ' ' MET . 4.8 mp -65.22 -42.0 93.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.699 0.285 . . . . 1.97 111.343 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -68.53 -30.71 69.57 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.574 -0.528 . . . . 0.78 109.574 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 153' ' ' THR . 5.5 mm-40 -59.61 -43.93 93.59 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.744 -0.662 . . . . 2.52 110.731 174.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.414 ' HB3' ' HZ ' ' A' ' 58' ' ' PHE . 63.2 m-85 -58.47 -44.69 89.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.047 0.451 . . . . 1.28 110.338 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.593 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 28.0 ttpp -67.01 -27.48 67.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 2.51 111.471 -177.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -87.88 -37.35 16.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.887 0.375 . . . . 4.22 110.807 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 14.2 mptt -67.55 -46.71 71.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.156 -0.475 . . . . 3.38 110.749 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.18 122.44 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.001 0.429 . . . . 1.97 110.74 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 19.5 m -75.36 -37.49 60.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 4.06 111.26 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -99.25 -46.31 2.04 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.863 -0.684 . . . . 3.39 112.037 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 70.43 63.19 3.33 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.033 -0.603 . . . . 3.62 112.885 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 25.7 t -81.35 -7.03 59.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.895 0.379 . . . . 3.61 110.769 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -84.65 5.34 28.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.486 -0.324 . . . . 4.07 111.698 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 94.92 39.21 4.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.663 -0.78 . . . . 1.78 112.589 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.593 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 9.3 p -62.49 -40.98 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.784 0.325 . . . . 2.0 111.557 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -64.86 -44.06 90.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 4.19 110.787 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -62.11 -47.49 84.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.931 -0.577 . . . . 1.53 109.965 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.825 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 71.0 t80 -60.75 -40.49 92.62 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.99 111.08 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.584 ' HB2' ' HD2' ' A' ' 158' ' ' LYS . 36.5 tt0 -61.25 -43.88 98.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.809 0.338 . . . . 2.38 110.801 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.56 -35.3 78.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.932 -0.577 . . . . 2.29 110.622 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.655 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 8.3 tpt180 -75.07 -39.99 60.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.356 -0.384 . . . . 4.06 110.819 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.553 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 32.9 ttpt -57.71 -53.86 53.43 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.406 -0.361 . . . . 1.78 111.062 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 6.7 pt-20 -53.14 -44.37 67.69 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.306 -0.407 . . . . 1.35 111.167 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -74.63 -35.19 62.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.664 0.269 . . . . 2.5 111.195 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.19 97.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.444 -0.344 . . . . 1.48 110.349 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 83.4 mt -65.01 -40.94 95.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.543 . . . . 2.23 110.23 177.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 176' ' ' GLU . 66.7 mttm -61.42 -47.57 85.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 3.56 110.516 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' THR . . . . . 0.514 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 49.9 m -60.83 -44.1 97.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 1.74 110.746 177.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.4 ttt -60.9 -40.27 92.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 1.17 110.67 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.99 76.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 1.26 111.305 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.551 ' HB3' ' HZ3' ' A' ' 184' ' ' LYS . 8.5 mtpm? -68.39 -48.2 65.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.966 0.412 . . . . 3.33 110.72 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.576 ' HB2' HG23 ' A' ' 73' ' ' THR . 13.9 ptpt -77.7 -7.49 56.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.349 -0.387 . . . . 2.71 111.702 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -66.19 -33.14 75.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.37 -0.377 . . . . 1.16 110.951 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 184' ' ' LYS . 4.7 pp -65.15 -23.49 67.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 3.01 111.043 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -65.51 -44.53 86.69 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.722 -0.473 . . . . 3.19 109.722 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.94 -44.22 94.49 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.785 -0.643 . . . . 1.95 109.912 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -57.55 -41.73 81.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.508 -0.769 . . . . 2.72 110.587 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.94 -40.95 97.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.033 -0.531 . . . . 2.86 111.264 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' ILE . . . . . 0.558 HG13 ' HA ' ' A' ' 80' ' ' ALA . 1.7 mp -56.99 -51.85 63.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.844 0.354 . . . . 1.6 110.359 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 196' ' ' LEU . 16.3 p -70.55 -29.29 65.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 2.11 111.536 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.25 -53.05 62.34 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.345 -0.388 . . . . 3.84 110.809 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.57 -36.75 74.44 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.912 -0.586 . . . . 4.02 110.627 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.473 ' HA ' ' HB ' ' A' ' 200' ' ' ILE . 51.0 tp -56.72 -45.71 81.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.232 -0.894 . . . . 3.89 111.561 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -72.27 -38.19 68.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.322 -0.399 . . . . 6.49 112.019 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -90.14 -59.22 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.626 0.602 . . . . 4.3 112.626 -171.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.45 -54.24 3.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.869 0.366 . . . . 5.29 111.633 -168.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 1.105 HG22 ' HA ' ' A' ' 206' ' ' LYS . 10.1 mt -64.29 -24.18 35.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.367 -0.833 . . . . 3.27 112.649 -174.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -43.96 -65.01 0.65 Allowed Pre-proline 0 CA--C 1.552 1.025 0 N-CA-C 117.186 2.291 . . . . 6.5 117.186 -165.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 205' ' ' GLU . 43.9 Cg_endo -73.19 -72.21 0.02 OUTLIER 'Trans proline' 0 CA--C 1.545 1.041 0 N-CA-C 119.545 2.864 . . . . 7.52 119.545 -153.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -114.72 -86.69 0.59 Allowed 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.898 1.681 . . . . 7.15 114.459 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.57 -22.6 32.3 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 114.177 -1.374 . . . . 6.12 110.147 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.502 ' HB2' ' HD2' ' A' ' 202' ' ' PRO . 7.6 mp0 -51.36 -24.68 4.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.135 -0.938 . . . . 9.31 111.568 -170.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . 1.105 ' HA ' HG22 ' A' ' 200' ' ' ILE . 54.5 pttt -50.3 -48.54 55.08 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.188 0.44 . . . . 10.86 112.188 169.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.518 ' N ' ' HG3' ' A' ' 206' ' ' LYS . 15.2 tp -73.02 -24.25 60.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.189 -0.46 . . . . 7.6 110.798 -176.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . 0.479 ' HA ' ' HB3' ' A' ' 211' ' ' LYS . 41.1 ttm180 -51.43 -31.57 23.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.96 -0.564 . . . . 9.74 111.877 -175.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -58.58 -45.66 88.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.43 0.633 . . . . 13.37 110.116 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.16 -28.02 35.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.574 -0.739 . . . . 11.25 109.755 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' LYS . . . . . 0.819 ' HA ' ' HB3' ' A' ' 214' ' ' PHE . 2.3 tmmm? -65.46 -17.51 64.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 10.09 110.397 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -55.25 -43.04 74.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.987 0.423 . . . . 12.99 110.193 173.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.89 -25.49 26.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.169 0.509 . . . . 13.26 110.446 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . 0.819 ' HB3' ' HA ' ' A' ' 211' ' ' LYS . 89.6 t80 -64.27 -30.06 71.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.356 -0.838 . . . . 14.02 110.558 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 211' ' ' LYS . 78.1 mt -48.86 -56.76 7.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.757 -0.656 . . . . 11.97 111.77 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -79.94 -70.63 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.135 -0.626 . . . . 12.73 111.996 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -92.42 -85.18 0.26 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 112.851 0.685 . . . . 14.13 112.851 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . 0.464 ' C ' ' HA ' ' A' ' 214' ' ' PHE . 21.5 mm-40 -148.55 177.8 9.17 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.057 -0.52 . . . . 15.76 110.91 -174.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -66.67 -39.69 88.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.178 0.513 . . . . 15.78 109.682 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' THR . . . . . 0.532 HG22 ' HE2' ' A' ' 122' ' ' MET . 10.3 t -137.16 146.19 44.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.758 -0.655 . . . . 17.94 109.965 176.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.723 -0.656 . . . . 17.45 110.362 -177.604 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.934 -0.466 . . . . 21.59 111.934 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -74.46 -27.31 60.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.729 0.299 . . . . 21.37 111.606 -177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.6 mmm -86.64 -22.76 25.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.591 -0.277 . . . . 18.72 110.947 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 4' ' ' ARG . 12.2 mmt180 71.0 150.39 0.09 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.954 0.784 . . . . 18.04 111.792 176.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.44 105.28 8.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.692 . . . . 14.86 110.524 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -78.04 133.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.104 -0.498 . . . . 12.67 109.721 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p -76.26 117.53 64.88 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.426 -0.352 . . . . 10.33 111.256 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.3 -36.1 88.95 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.797 2.331 . . . . 9.43 111.846 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -116.16 145.08 43.36 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.063 -0.972 . . . . 8.64 109.444 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 61.27 82.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.74 0.65 . . . . 7.1 110.728 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -96.46 169.31 9.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.635 -0.712 . . . . 6.84 110.179 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -100.06 117.09 63.91 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 121.108 0.48 . . . . 3.56 109.921 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.12 144.24 86.53 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.657 2.238 . . . . 2.04 111.767 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -63.21 -26.13 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.307 -0.406 . . . . 2.8 110.479 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.89 -44.89 67.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.469 -0.332 . . . . 2.67 111.012 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.32 -24.7 59.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 1.51 111.134 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -81.92 -42.76 19.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.066 -0.515 . . . . 2.85 110.143 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -66.54 -38.84 88.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 1.72 111.12 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.09 -27.91 69.09 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.872 0.368 . . . . 2.43 110.718 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.81 -36.91 76.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.514 -0.55 . . . . 1.99 109.514 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.422 ' HZ3' ' O ' ' A' ' 39' ' ' ALA . 21.7 m0 -66.23 -38.58 88.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.638 -0.71 . . . . 1.36 110.307 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.543 ' N ' ' HE2' ' A' ' 22' ' ' MET . 0.0 OUTLIER -62.74 -45.0 94.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.15 -0.477 . . . . 2.03 110.248 175.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.72 -45.01 95.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 3.79 110.143 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.651 ' HG3' ' HB ' ' A' ' 30' ' ' ILE . 41.6 tpp -56.17 -46.34 79.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.549 -0.75 . . . . 2.09 110.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.536 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -69.5 -48.43 60.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.005 -0.543 . . . . 1.46 112.01 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 p -69.81 -38.64 76.67 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.215 0.45 . . . . 1.75 112.215 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.421 ' OD1' ' HB2' ' A' ' 29' ' ' LYS . 37.0 t70 -76.18 -10.29 59.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 2.5 110.257 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.7 m120 61.61 27.67 17.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.551 -0.75 . . . . 2.77 109.802 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' OD1' ' A' ' 27' ' ' ASP . 87.2 tttt -77.94 -8.8 58.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.987 -1.006 . . . . 3.7 109.971 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.651 ' HB ' ' HG3' ' A' ' 24' ' ' MET . 7.4 tt -70.79 85.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.832 0.825 . . . . 1.4 111.048 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 37.0 m-80 -61.55 154.19 25.49 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.23 -0.896 . . . . 2.15 109.191 174.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -60.07 -34.15 73.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.394 0.516 . . . . 1.51 112.394 -175.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.14 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 1.75 111.146 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.525 HD22 ' HA ' ' A' ' 30' ' ' ILE . 2.2 p-10 -110.42 15.97 21.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.98 -0.555 . . . . 1.45 110.202 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.644 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.1 t -70.78 -20.92 62.55 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.938 -1.134 . . . . 1.76 107.938 174.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.462 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 52.8 m95 -96.29 163.04 13.25 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.931 -1.486 . . . . 0.94 109.591 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 46.3 m-80 71.75 1.2 3.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.603 0.761 . . . . 2.77 111.309 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -110.27 105.79 14.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.391 -0.368 . . . . 2.08 110.749 175.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -123.34 116.07 22.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.706 -0.479 . . . . 1.52 109.706 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 68' ' ' CYS . 10.2 mt -75.54 -44.53 43.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.153 0.501 . . . . 2.26 111.769 -177.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.566 ' HA ' ' HB3' ' A' ' 44' ' ' PHE . 10.5 mm -66.74 -27.13 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.724 . . . . 2.48 111.389 -167.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -52.69 -45.0 66.64 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.043 0.449 . . . . 2.45 110.387 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -84.56 -31.69 24.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 2.15 110.767 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.621 ' CE2' HG23 ' A' ' 150' ' ' THR . 40.9 t80 -66.41 -33.5 75.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 2.68 110.635 -177.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.801 ' HE2' ' HB3' ' A' ' 149' ' ' GLU . 0.2 OUTLIER -68.03 -44.47 76.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 1.84 111.883 -177.143 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 47' ' ' MET . 20.6 t70 -60.99 -28.96 69.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 2.94 111.045 -175.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.741 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 32.5 mtt 76.88 -41.19 0.39 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.357 0.873 . . . . 1.99 113.357 174.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -47.86 -37.65 14.39 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.738 0.644 . . . . 4.03 112.738 -173.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.7 tp -80.01 -33.17 39.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.333 0.494 . . . . 2.71 112.333 -170.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.1 tp -120.02 -19.87 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.382 0.512 . . . . 3.85 112.382 -169.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.741 ' HD3' ' HA ' ' A' ' 47' ' ' MET . 13.8 mptt -83.57 -179.87 7.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.954 0.407 . . . . 3.76 111.43 -175.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -96.71 78.44 2.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.773 -0.649 . . . . 2.55 109.946 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.56 -105.18 1.07 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.801 -0.714 . . . . 1.75 112.0 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.1 0.66 38.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.678 0.275 . . . . 2.87 111.06 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 8.5 t -134.27 -167.26 1.93 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.964 -0.384 . . . . 2.03 109.964 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.641 ' HB ' ' HG3' ' A' ' 51' ' ' LYS . 7.2 p -153.34 129.75 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-O 121.566 0.698 . . . . 1.26 110.552 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.505 ' C ' ' H ' ' A' ' 59' ' ' GLN . 49.7 t-20 -84.31 120.31 26.1 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 106.556 -1.646 . . . . 2.33 106.556 168.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.688 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 70.0 m-85 -67.57 4.7 0.98 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.651 -0.704 . . . . 1.02 111.104 -174.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 57' ' ' ASN . 29.5 tt0 -73.72 -59.61 2.64 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.343 0.592 . . . . 1.97 109.509 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -72.8 -26.92 61.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.309 -0.86 . . . . 2.82 110.095 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.688 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -62.97 -46.59 87.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.791 -0.641 . . . . 1.25 110.633 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.637 ' HB2' ' HD1' ' A' ' 171' ' ' PHE . 35.5 t -68.28 -40.39 81.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.406 -0.361 . . . . 1.46 110.656 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.3 t -55.81 -49.16 73.99 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.238 0.542 . . . . 1.79 110.564 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -73.22 -30.59 63.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.807 -0.633 . . . . 1.96 110.565 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.65 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 50.8 tp -63.01 -46.41 87.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.475 -0.329 . . . . 2.2 110.261 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.82 -45.6 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.287 0.565 . . . . 0.82 109.942 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.88 -42.25 86.41 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.402 -0.817 . . . . 0.61 113.133 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.65 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 31.3 p -69.22 -38.33 78.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.073 0.437 . . . . 1.93 111.838 -174.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.73 -36.04 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.554 -0.458 . . . . 2.13 109.931 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -67.42 -49.54 63.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 3.41 111.318 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.541 HG23 ' HA ' ' A' ' 68' ' ' CYS . 10.1 tt -67.17 -38.62 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.681 0.277 . . . . 1.8 111.591 -176.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.419 ' CE2' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -65.93 -39.38 90.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.674 0.273 . . . . 1.14 110.469 -178.403 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.437 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 12.6 p -76.17 -25.75 55.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.604 -0.271 . . . . 1.34 110.964 176.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 t -62.52 -34.18 76.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.41 -0.589 . . . . 1.89 109.41 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.543 ' NH2' ' HA ' ' A' ' 140' ' ' VAL . 58.9 mtm180 -68.33 -36.72 79.69 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.887 -0.597 . . . . 2.35 109.907 175.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.568 HG23 HD11 ' A' ' 189' ' ' LEU . 99.2 t -56.95 -44.25 82.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.178 0.513 . . . . 1.48 109.732 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.29 -27.49 69.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.741 -0.663 . . . . 1.87 111.013 176.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 m -67.69 -33.82 75.67 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.774 0.321 . . . . 1.71 110.574 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.417 HG13 ' CE ' ' A' ' 137' ' ' MET . 21.9 t -65.94 -40.4 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.253 -0.647 . . . . 2.02 109.253 173.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.35 -26.67 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.552 -0.749 . . . . 1.45 110.645 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.5 m -67.15 -32.12 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 2.29 109.982 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.33 -36.43 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 2.42 109.998 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.0 m -59.07 -36.97 75.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.391 0.615 . . . . 3.15 110.46 174.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.75 -25.44 75.54 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.639 -0.709 . . . . 4.2 112.344 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -59.42 -39.73 84.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.478 . . . . 4.88 110.35 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.529 HD11 ' HG2' ' A' ' 205' ' ' GLU . 8.0 mp -66.41 -39.99 89.31 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.821 -0.627 . . . . 5.71 110.549 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 69.0 tp -56.69 -44.32 81.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.902 -0.59 . . . . 6.68 110.706 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 m -59.71 -48.34 82.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.142 -0.481 . . . . 8.18 110.947 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.82 -45.31 58.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.937 -0.649 . . . . 8.78 112.942 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.71 -43.83 87.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.524 0.202 . . . . 8.69 111.282 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.43 95.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.842 0.353 . . . . 10.13 110.641 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.1 -19.94 66.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.541 . . . . 12.11 111.075 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.3 t -81.95 -6.83 59.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.925 -0.579 . . . . 11.83 110.987 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -124.4 -37.73 2.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.229 0.538 . . . . 11.37 110.439 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -132.42 107.27 8.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.57 -0.741 . . . . 13.64 109.688 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -121.57 -36.76 3.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.258 0.551 . . . . 13.75 109.897 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -122.97 -50.75 1.92 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.963 -0.562 . . . . 16.47 109.712 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -142.53 149.36 39.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.21 -0.904 . . . . 14.75 108.613 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -62.25 124.36 20.67 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.523 -0.547 . . . . 17.05 109.523 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.93 136.81 56.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.741 -0.466 . . . . 14.47 109.741 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -66.88 -17.83 65.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 18.27 111.899 -176.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 52.83 56.61 7.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.593 0.711 . . . . 15.08 110.706 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.73 140.17 45.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.138 -0.937 . . . . 16.29 110.662 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.9 4.18 59.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.646 -0.788 . . . . 14.8 113.005 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -82.0 -8.51 86.5 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.792 -0.718 . . . . 16.02 112.419 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 152.46 -161.13 29.32 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.875 -0.678 . . . . 15.61 111.795 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.8 m -100.66 115.59 30.59 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.932 0.396 . . . . 16.05 110.522 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.7 -36.16 2.87 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.24 -0.744 . . . . 16.77 111.24 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -146.09 40.58 1.06 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.982 -0.847 . . . . 17.38 110.982 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.9 m -105.57 4.99 30.95 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.677 0.275 . . . . 18.07 111.077 -176.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 51.0 mt -69.6 105.98 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.136 0.493 . . . . 17.15 111.015 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -95.69 165.93 12.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.833 -0.621 . . . . 15.45 109.618 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -71.01 155.65 40.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.692 -0.484 . . . . 17.85 109.692 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 139.78 58.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.585 -0.524 . . . . 14.83 109.585 177.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 95.3 mt -123.83 128.68 74.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.903 -0.589 . . . . 12.01 110.573 -172.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -94.46 133.31 27.21 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.864 -0.607 . . . . 11.89 109.919 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.89 -36.29 98.89 Favored 'Trans proline' 0 CA--C 1.527 0.154 0 C-N-CA 122.613 2.209 . . . . 11.3 111.749 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -56.81 -27.02 59.28 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.684 -0.689 . . . . 11.18 111.755 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.82 -47.76 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.18 0.514 . . . . 8.95 110.252 175.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.491 ' HE1' ' HG2' ' A' ' 212' ' ' ARG . 23.3 mmt -77.79 -20.08 53.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.855 -0.611 . . . . 9.07 110.897 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -42.95 99.78 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.233 -0.655 . . . . 7.57 109.233 172.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tpt -60.91 -34.49 74.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.063 -0.971 . . . . 7.62 111.315 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.459 HG12 ' HA ' ' A' ' 120' ' ' MET . 36.8 mm -55.3 -31.17 26.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.28 -0.418 . . . . 5.77 111.548 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -51.62 -33.49 33.44 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.099 0.475 . . . . 4.81 111.842 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.7 m -62.67 -27.31 69.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.826 -0.625 . . . . 4.31 111.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.43 -30.58 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 113.077 0.769 . . . . 4.22 113.077 -169.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' ' 130' ' ' GLU . 43.2 mt-10 -52.32 -29.22 22.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.381 0.511 . . . . 4.32 112.381 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -70.51 -32.31 69.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.14 0.495 . . . . 4.91 111.231 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.428 ' HB3' ' HD3' ' A' ' 206' ' ' LYS . 47.2 mttp -70.75 -23.72 62.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 5.02 112.396 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 7.0 pt-20 -54.59 -25.47 26.52 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.25 0.463 . . . . 3.16 112.25 -175.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 24.1 mmt -54.72 -27.97 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.526 0.565 . . . . 3.96 112.526 -175.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.9 m -64.01 -37.82 88.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.979 0.419 . . . . 1.99 110.419 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 202' ' ' PRO . 0.2 OUTLIER -67.18 -42.59 84.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.835 -0.802 . . . . 2.57 108.835 177.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -60.42 -38.7 84.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.623 -0.717 . . . . 4.02 110.336 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -61.26 -45.41 94.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.05 -0.523 . . . . 1.92 110.737 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 133' ' ' LEU . 59.2 mtm -68.97 -38.43 79.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 1.63 110.708 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.417 ' CE ' HG13 ' A' ' 79' ' ' VAL . 19.8 mmt -62.6 -38.44 90.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.103 0.478 . . . . 1.97 110.049 174.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -60.73 -38.15 84.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.5 -0.773 . . . . 3.84 110.26 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 28.1 m -62.15 -47.7 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 1.61 110.185 175.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.543 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 85.1 t -59.05 -50.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.779 -0.646 . . . . 1.79 111.038 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.89 -38.39 90.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.891 -0.595 . . . . 2.05 111.779 -176.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -59.4 -51.88 68.0 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.244 -0.182 . . . . 3.34 110.864 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.614 ' O ' HG13 ' A' ' 147' ' ' ILE . 5.1 m-20 -59.99 -44.32 94.6 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.998 -0.371 . . . . 1.64 109.998 177.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -53.75 -53.57 50.35 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.3 0.375 . . . . 2.41 111.386 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -62.88 -42.31 99.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.97 110.584 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -65.93 -31.28 72.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.556 . . . . 3.26 111.182 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 143' ' ' ASP . 74.5 mt -60.83 -50.73 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 110.394 -0.225 . . . . 1.32 110.394 176.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -55.62 -44.28 76.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.224 0.535 . . . . 2.39 110.376 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.801 ' HB3' ' HE2' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -61.05 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.344 -0.843 . . . . 2.47 110.357 178.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.621 HG23 ' CE2' ' A' ' 44' ' ' PHE . 53.8 m -66.69 -49.32 66.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.522 . . . . 1.44 111.347 -178.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.418 HD12 HD21 ' A' ' 179' ' ' LEU . 71.8 mt -59.41 -42.74 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.387 . . . . 1.68 110.449 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.43 95.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.315 -0.402 . . . . 1.24 110.906 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 41.5 m -64.69 -51.01 64.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 1.27 111.076 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.24 -33.08 74.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 1.97 110.83 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 20.0 t70 -62.0 -45.32 94.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.071 -0.513 . . . . 0.78 110.585 175.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.417 ' O ' ' HD3' ' A' ' 160' ' ' LYS . 49.1 mt-10 -69.7 -29.71 67.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 2.52 110.772 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -66.25 -30.67 71.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.928 0.394 . . . . 1.28 110.285 174.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.671 ' HB3' ' HZ2' ' A' ' 158' ' ' LYS . 9.3 mtpm? -73.19 -25.1 60.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 2.51 110.389 175.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 155' ' ' ASP . 77.6 mtt180 -73.14 -38.91 66.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 4.22 109.819 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 5.7 mptp? -66.79 -52.92 38.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.982 -0.554 . . . . 3.38 110.049 173.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -107.83 85.53 2.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 1.97 110.428 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 36.1 m -91.06 2.64 56.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.029 -0.532 . . . . 4.06 110.624 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -95.12 -151.94 28.84 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.892 -0.671 . . . . 3.39 112.215 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -103.05 40.22 2.51 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.918 -0.658 . . . . 3.62 112.603 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 26.6 t -66.59 -33.23 75.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.224 0.535 . . . . 3.61 110.052 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -146.68 -174.56 4.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 4.07 109.398 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.83 61.04 2.54 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.615 -0.803 . . . . 1.78 112.056 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 6.2 p -67.33 -50.01 61.77 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.164 0.431 . . . . 2.0 112.164 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -66.08 -42.32 89.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 4.19 110.627 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 57.6 ttp -61.01 -38.3 85.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 1.53 110.66 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.637 ' HD1' ' HB2' ' A' ' 62' ' ' SER . 92.4 t80 -66.0 -33.07 74.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.918 -0.583 . . . . 0.99 111.123 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.04 -45.88 76.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 2.38 110.439 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.34 -42.01 88.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.915 -0.584 . . . . 2.29 110.777 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -70.95 -31.84 68.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.155 -0.475 . . . . 4.06 111.117 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 27.0 ttmt -57.77 -55.15 38.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 1.78 110.791 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.88 -33.91 75.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 1.35 111.08 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -73.47 -42.6 61.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 2.5 110.726 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.99 99.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.48 110.528 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 87.0 mt -60.96 -39.31 89.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 2.23 111.005 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 184' ' ' LYS . 52.5 tptt -62.21 -46.2 89.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 3.56 110.373 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 19.8 m -66.64 -40.66 88.83 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.182 0.515 . . . . 1.74 110.717 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.9 -46.66 89.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 1.17 110.845 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -60.22 -35.34 75.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 1.26 111.727 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 180' ' ' LYS . 99.7 mttt -55.98 -51.89 66.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 3.33 110.977 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -76.71 -27.83 55.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.953 -0.567 . . . . 2.71 110.66 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.35 -35.03 79.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 1.16 110.957 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 94.2 mt -60.73 -43.14 98.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.629 -0.508 . . . . 3.01 109.629 173.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -65.39 -40.15 93.1 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.753 -0.658 . . . . 3.19 110.106 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.568 HD11 HG23 ' A' ' 76' ' ' VAL . 52.9 tp -54.7 -43.93 72.96 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.846 0.355 . . . . 1.95 111.028 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.37 -40.95 96.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.446 . . . . 2.72 111.54 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -70.32 -45.74 65.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.24 0.543 . . . . 2.86 110.683 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' ILE . . . . . 1.041 HG21 HD12 ' A' ' 196' ' ' LEU . 45.2 mt -57.17 -51.5 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.323 -0.853 . . . . 1.6 111.308 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 197' ' ' ARG . 12.4 p -61.45 -47.42 85.78 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.848 -0.341 . . . . 2.11 111.116 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -62.44 -57.35 11.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 3.84 111.702 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.28 -53.22 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.482 0.549 . . . . 4.02 112.482 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 1.041 HD12 HG21 ' A' ' 192' ' ' ILE . 63.2 mt -70.57 -45.24 65.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.572 -0.286 . . . . 3.89 111.739 -170.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 202' ' ' PRO . 0.0 OUTLIER -74.07 -26.37 60.34 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.816 -0.354 . . . . 6.49 110.934 -174.002 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.29 -47.51 85.71 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.086 -0.246 . . . . 4.3 111.373 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.579 ' O ' ' HE2' ' A' ' 203' ' ' LYS . 43.5 mt-10 -124.75 -63.27 1.19 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.728 1.01 . . . . 5.29 113.728 -175.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.59 HG13 ' H ' ' A' ' 201' ' ' GLU . 23.4 pt -78.69 -66.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 114.603 1.335 . . . . 3.27 114.603 -161.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.59 ' H ' HG13 ' A' ' 200' ' ' ILE . 0.3 OUTLIER -56.16 -53.48 63.15 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 114.503 1.297 . . . . 6.5 114.503 -166.653 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' PRO . . . . . 0.608 ' HG2' ' O ' ' A' ' 197' ' ' ARG . 65.7 Cg_exo -54.67 -49.63 16.13 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.235 1.956 . . . . 7.52 114.18 -172.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . 0.579 ' HE2' ' O ' ' A' ' 199' ' ' GLU . 0.0 OUTLIER -97.65 -60.1 1.64 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.535 0.568 . . . . 7.15 112.535 -175.101 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -68.27 -30.87 69.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.364 0.876 . . . . 6.12 113.364 -167.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.529 ' HG2' HD11 ' A' ' 86' ' ' LEU . 2.8 tm-20 -53.86 -56.2 19.78 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.126 0.489 . . . . 9.31 110.625 -177.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . 0.428 ' HD3' ' HB3' ' A' ' 129' ' ' LYS . 12.2 ptmt -67.19 -42.18 84.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.886 -0.597 . . . . 10.86 111.89 -174.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 21.5 tp -76.45 -44.94 33.51 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.061 0.393 . . . . 7.6 112.061 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . 0.446 ' HA ' ' HB2' ' A' ' 212' ' ' ARG . 42.2 ttm180 -63.76 -40.28 96.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.565 -0.289 . . . . 9.74 111.337 -174.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.72 -50.36 72.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.085 0.469 . . . . 13.37 111.284 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.4 -54.54 4.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.019 -0.537 . . . . 11.25 112.137 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -78.9 -49.67 12.46 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.484 0.55 . . . . 10.09 112.484 -170.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.491 ' HG2' ' HE1' ' A' ' 120' ' ' MET . 0.0 OUTLIER -68.76 -35.05 76.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.707 0.289 . . . . 12.99 110.492 -174.099 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -79.13 -59.89 2.59 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.803 -0.359 . . . . 13.26 111.515 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -77.56 -56.48 4.49 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.77 0.656 . . . . 14.02 112.77 -175.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 69.0 mt -74.75 -23.09 58.49 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.068 0.766 . . . . 11.97 113.068 -167.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.82 -54.95 20.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.921 0.391 . . . . 12.73 110.624 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -84.48 -41.04 16.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 14.13 111.653 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -105.39 152.96 22.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.353 -0.385 . . . . 15.76 110.674 -175.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -74.45 -42.1 59.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.995 0.426 . . . . 15.78 110.374 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 15.1 p -112.43 134.05 54.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 17.94 111.605 -177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.501 -0.761 . . . . 17.45 110.239 174.149 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 112.205 -0.358 . . . . 21.59 112.205 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -141.09 143.75 34.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.914 0.388 . . . . 21.37 111.039 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -14.57 37.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.102 0.477 . . . . 18.72 109.913 176.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -142.84 125.11 15.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.658 . . . . 18.04 109.783 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.75 139.72 47.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.964 0.412 . . . . 14.86 111.242 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.7 t -81.85 124.46 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.782 -0.644 . . . . 12.67 110.445 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.2 p -93.02 117.12 67.42 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.192 -0.458 . . . . 10.33 111.157 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.2 -12.53 17.35 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.586 2.191 . . . . 9.43 112.125 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.544 ' HE1' ' HA ' ' A' ' 9' ' ' MET . 4.6 tpt -103.19 130.15 50.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.504 -0.771 . . . . 8.64 109.491 178.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -67.64 109.18 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.992 0.425 . . . . 7.1 110.393 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -138.47 130.45 28.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.769 -0.65 . . . . 6.84 109.727 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -97.58 117.14 65.71 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 116.027 -0.533 . . . . 3.56 109.937 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.19 103.42 0.63 Allowed 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.57 2.18 . . . . 2.04 111.426 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mm -63.64 -32.84 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.767 -0.651 . . . . 2.8 110.516 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.607 ' HA ' HD11 ' A' ' 49' ' ' LEU . 4.1 pp -67.01 -30.52 70.65 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.917 -0.313 . . . . 2.67 110.361 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.513 ' N ' HD11 ' A' ' 15' ' ' LEU . . . -76.28 -32.92 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.07 0.462 . . . . 1.51 109.959 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -44.15 85.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 2.85 110.145 174.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.36 -50.65 73.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 1.72 111.094 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 9.6 pt-20 -69.42 -27.09 64.97 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.866 -0.334 . . . . 2.43 111.025 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -64.7 -41.37 96.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.236 0.541 . . . . 1.99 109.545 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.546 ' HA ' ' HE2' ' A' ' 38' ' ' PHE . 38.6 m0 -65.23 -42.21 93.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.442 -0.799 . . . . 1.36 110.334 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.617 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -68.02 -38.83 83.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.968 -0.56 . . . . 2.03 110.373 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -58.5 -41.88 86.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.778 -0.646 . . . . 3.79 110.038 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.695 ' HG3' ' HB ' ' A' ' 30' ' ' ILE . 46.7 tpp -64.51 -47.32 79.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.217 -0.901 . . . . 2.09 110.592 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . . . -69.06 -51.75 35.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.785 -0.643 . . . . 1.46 112.391 -176.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -62.1 -39.13 91.47 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.56 0.578 . . . . 1.75 112.56 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.16 3.05 28.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.998 0.427 . . . . 2.5 110.59 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.6 t30 61.06 25.97 15.95 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.889 0.852 . . . . 2.77 110.179 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -80.78 -16.12 54.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.146 -0.934 . . . . 3.7 109.5 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.762 ' HA ' HD22 ' A' ' 34' ' ' ASN . 6.3 tt -71.0 95.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.14 -0.936 . . . . 1.4 110.85 178.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -71.27 159.87 33.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.817 -0.809 . . . . 2.15 108.817 173.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.92 78.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.822 0.344 . . . . 1.51 111.317 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.6 70.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.253 -0.43 . . . . 1.75 111.256 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.762 HD22 ' HA ' ' A' ' 30' ' ' ILE . 2.0 p-10 -110.96 14.53 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 1.45 111.125 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.436 ' HA ' HD11 ' A' ' 30' ' ' ILE . 67.4 m -72.15 -16.62 61.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.148 -1.056 . . . . 1.76 108.148 170.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.454 ' O ' ' HB3' ' A' ' 37' ' ' ASN . 22.4 m95 -81.64 152.5 27.12 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 114.369 -1.287 . . . . 0.94 109.428 173.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' TRP . 7.2 t30 71.29 -2.18 2.48 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.179 0.925 . . . . 2.77 110.795 -173.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.546 ' HE2' ' HA ' ' A' ' 21' ' ' TRP . 11.7 m-85 -108.7 94.4 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.762 0.315 . . . . 2.08 110.76 175.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -136.12 117.09 14.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.088 0.47 . . . . 1.52 110.497 172.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.428 HD13 ' HE3' ' A' ' 22' ' ' MET . 79.2 mt -73.28 -17.16 61.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.867 -0.606 . . . . 2.26 110.919 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 1.06 ' HA ' ' HD2' ' A' ' 44' ' ' PHE . 15.4 mt -62.62 -29.57 47.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.48 -0.782 . . . . 2.48 111.89 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.09 -29.66 70.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.877 0.37 . . . . 2.45 110.443 176.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -73.23 -31.88 64.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 2.15 110.579 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 1.06 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 84.4 m-85 -65.19 -42.72 93.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.367 . . . . 2.68 110.693 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -75.83 -29.13 58.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.131 0.491 . . . . 1.84 110.394 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.94 -58.26 7.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.576 -0.738 . . . . 2.94 111.224 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.578 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 50.9 mtt 54.93 40.45 32.01 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.678 -0.692 . . . . 1.99 112.652 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 t -110.77 -32.7 6.77 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.13 -0.692 . . . . 4.03 109.13 169.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.607 HD11 ' HA ' ' A' ' 15' ' ' LEU . 8.4 tt -90.72 -52.12 5.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.599 -0.728 . . . . 2.71 110.128 178.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -73.45 -32.85 64.59 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.036 -0.529 . . . . 3.85 111.361 -175.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.638 ' HZ1' ' HH ' ' A' ' 157' ' ' TYR . 47.6 tttp -86.51 126.43 34.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.98 -0.555 . . . . 3.76 110.149 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -122.13 101.5 7.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.03 -0.532 . . . . 2.55 110.4 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.25 -140.83 15.91 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.553 -0.749 . . . . 1.75 112.949 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.36 -29.41 59.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.987 0.422 . . . . 2.87 111.662 -173.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -131.21 -166.22 1.67 Allowed 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.569 -0.53 . . . . 2.03 109.569 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.58 130.52 56.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.311 0.577 . . . . 1.26 109.772 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 15.3 m120 -70.75 111.58 6.31 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.143 -0.935 . . . . 2.33 109.418 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.681 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 50.2 m-85 -70.76 -4.45 23.95 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.867 -0.606 . . . . 1.02 110.962 -176.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.01 -59.25 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.121 -0.696 . . . . 1.97 109.121 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 13.9 ptmm? -64.6 -27.69 69.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.315 -0.857 . . . . 2.82 110.073 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.681 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -66.87 -30.62 70.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.806 -0.634 . . . . 1.25 111.017 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.402 ' OG ' ' HG3' ' A' ' 174' ' ' ARG . 66.6 m -70.13 -40.52 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.445 -0.343 . . . . 1.46 110.399 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.6 t -61.11 -49.69 76.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.094 -0.503 . . . . 1.79 110.463 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.408 ' HG1' ' HE1' ' A' ' 44' ' ' PHE . 12.6 p -67.56 -26.41 66.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.456 . . . . 1.96 111.169 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.438 ' HB2' HH21 ' A' ' 174' ' ' ARG . 3.4 tm? -65.29 -52.38 54.56 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.956 -0.387 . . . . 2.2 109.956 176.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.35 -42.09 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.82 110.191 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.56 ' HA2' ' HE2' ' A' ' 70' ' ' LYS . . . -65.59 -35.72 91.52 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.915 -0.66 . . . . 0.61 112.24 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.14 -53.27 52.16 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.578 0.351 . . . . 1.93 111.125 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.13 -37.05 76.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.32 0.581 . . . . 2.13 110.199 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HE2' ' HA2' ' A' ' 67' ' ' GLY . 34.4 ttpt -65.7 -50.84 63.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.266 -0.879 . . . . 3.41 111.394 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.4 HD13 ' HB3' ' A' ' 38' ' ' PHE . 16.7 tt -72.76 -33.06 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 1.8 111.176 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.601 ' HH ' ' HZ3' ' A' ' 144' ' ' LYS . 33.2 t80 -57.79 -47.38 82.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 1.14 110.453 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.65 HG23 ' HD3' ' A' ' 185' ' ' LYS . 11.5 p -75.27 -27.89 59.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.359 0.503 . . . . 1.34 112.359 -175.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 p -70.94 -31.45 68.04 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.253 0.549 . . . . 1.89 109.823 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -68.61 -31.78 71.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.647 -0.706 . . . . 2.35 109.917 173.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.598 HG21 ' O ' ' A' ' 72' ' ' TYR . 26.0 t -68.39 -35.3 70.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.2 0.524 . . . . 1.48 109.829 174.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -64.6 -28.94 69.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.869 0.366 . . . . 1.87 110.432 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.45 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 13.7 m -66.14 -48.81 69.57 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.184 0.516 . . . . 1.71 110.621 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.528 HG13 ' HE3' ' A' ' 136' ' ' MET . 24.3 m -67.69 -28.28 41.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 116.171 -0.468 . . . . 2.02 110.567 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.49 ' HB2' HD13 ' A' ' 192' ' ' ILE . . . -58.3 -48.97 78.79 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.615 0.245 . . . . 1.45 111.431 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.5 m -61.76 -42.72 99.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.159 0.504 . . . . 2.29 110.196 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.57 -14.32 61.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.759 -0.655 . . . . 2.42 112.009 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.7 m -57.1 -39.25 74.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.688 0.28 . . . . 3.15 110.459 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.952 ' HA2' HG13 ' A' ' 200' ' ' ILE . . . -59.52 -26.05 61.63 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.939 -0.573 . . . . 4.2 112.514 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 88' ' ' SER . 29.9 mmtp -73.66 -29.84 62.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.66 0.267 . . . . 4.88 110.802 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 130' ' ' GLU . 8.9 tp -61.57 -58.77 6.79 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 122.696 0.398 . . . . 5.71 112.04 -173.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.845 HD11 HG21 ' A' ' 200' ' ' ILE . 42.3 mt -71.33 -14.85 62.33 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.61 -0.436 . . . . 6.68 110.892 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 85' ' ' LYS . 69.9 m -59.79 -31.39 69.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.798 0.332 . . . . 8.18 110.328 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.714 ' HA2' ' HA ' ' A' ' 127' ' ' GLU . . . -70.3 -28.67 71.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 8.78 111.89 175.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 87' ' ' LEU . 3.9 mm? -77.9 4.16 12.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.412 0.285 . . . . 8.69 111.282 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.82 -37.01 73.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.583 -0.28 . . . . 10.13 110.973 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 96' ' ' SER . 21.5 t70 -60.51 -37.51 81.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.045 -0.525 . . . . 12.11 110.881 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 m -66.72 -29.86 69.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 11.83 110.888 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -89.05 -38.57 14.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.772 0.32 . . . . 11.37 111.142 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -142.19 113.2 7.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.161 -0.472 . . . . 13.64 110.15 -175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 6.6 t -154.19 -34.22 0.1 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.885 0.374 . . . . 13.75 110.41 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -122.4 21.74 10.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 16.47 110.704 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -77.53 -29.32 52.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.267 -0.642 . . . . 14.75 109.267 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -67.13 168.72 9.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.218 -0.901 . . . . 17.05 110.087 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.68 150.06 36.37 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.514 -0.55 . . . . 14.47 109.514 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.932 ' HG3' ' HG3' ' A' ' 102' ' ' GLU . 34.4 ptt180 -55.84 -26.88 48.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 18.27 111.498 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.932 ' HG3' ' HG3' ' A' ' 101' ' ' ARG . 34.7 mt-10 -115.18 156.67 24.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.318 -0.401 . . . . 15.08 110.617 -176.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.36 27.31 6.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.165 0.507 . . . . 16.29 110.653 -177.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.7 -17.65 56.23 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.779 -0.724 . . . . 14.8 111.479 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.78 124.42 32.75 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 112.019 -0.432 . . . . 16.02 112.019 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.99 19.91 15.64 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.357 -0.697 . . . . 15.61 111.357 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.9 m 63.84 95.98 0.04 OUTLIER 'General case' 0 CA--C 1.527 0.095 0 CA-C-O 121.286 0.565 . . . . 16.05 111.102 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -88.73 62.43 3.68 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.792 -0.718 . . . . 16.77 111.896 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.87 -147.32 21.23 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.86 -0.686 . . . . 17.38 112.408 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.5 m -74.74 -28.49 60.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.783 0.325 . . . . 18.07 111.3 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 94.6 mt -79.92 92.33 5.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.351 0.596 . . . . 17.15 110.911 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -83.39 62.66 6.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.281 0.562 . . . . 15.45 110.747 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -89.21 0.88 56.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.462 -0.79 . . . . 17.85 110.326 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.532 ' H ' ' HD2' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -96.73 -171.53 2.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.882 -0.785 . . . . 14.83 108.882 174.3 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 40.3 mt -49.5 115.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 O-C-N 123.48 0.488 . . . . 12.01 111.534 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -87.61 139.82 31.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.478 -0.328 . . . . 11.89 110.379 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.11 -40.43 85.88 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.669 2.246 . . . . 11.3 112.356 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -63.17 -23.27 67.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.472 -0.331 . . . . 11.18 111.587 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.781 ' HA ' ' HE3' ' A' ' 122' ' ' MET . 79.1 t -63.49 -45.4 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.161 0.505 . . . . 8.95 110.371 177.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 21.5 mmt -73.62 -21.87 60.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.759 -0.655 . . . . 9.07 110.439 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 124' ' ' ASP . 31.1 m-80 -68.96 -31.55 70.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.048 -0.524 . . . . 7.57 110.093 172.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.781 ' HE3' ' HA ' ' A' ' 119' ' ' VAL . 69.7 mtm -69.68 -37.9 76.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 7.62 109.952 175.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.961 HD12 HD21 ' A' ' 207' ' ' LEU . 5.7 mm -70.56 -31.16 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.308 0.575 . . . . 5.77 109.768 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 22.7 t70 -53.65 -33.53 55.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.339 -0.846 . . . . 4.81 110.958 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.8 m -57.77 -42.36 83.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.904 -0.589 . . . . 4.31 111.398 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 123' ' ' ILE . 4.0 m -71.71 -32.93 46.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.069 0 N-CA-C 110.05 -0.352 . . . . 4.22 110.05 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.714 ' HA ' ' HA2' ' A' ' 89' ' ' GLY . 48.4 mt-10 -65.79 -42.0 91.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.933 -0.576 . . . . 4.32 111.018 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 124' ' ' ASP . 32.3 mmmt -65.71 -31.55 72.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.118 0.485 . . . . 4.91 111.116 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -62.44 -25.27 67.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.574 -0.739 . . . . 5.02 112.213 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.724 ' HB2' HD11 ' A' ' 86' ' ' LEU . 6.2 pt-20 -54.42 -32.2 56.82 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.93 0.395 . . . . 3.16 111.151 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.524 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 80.7 mtp -61.69 -38.03 86.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 3.96 110.346 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' A' ' 136' ' ' MET . 24.3 m -73.4 -41.19 63.63 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.821 -0.627 . . . . 1.99 111.161 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.56 HD12 HD22 ' A' ' 86' ' ' LEU . 3.2 tm? -61.19 -51.97 66.79 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.723 -0.217 . . . . 2.57 111.193 -175.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 131' ' ' MET . 60.3 pttt -65.4 -30.66 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.825 -0.35 . . . . 4.02 110.7 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -67.03 -43.87 81.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 1.92 109.873 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' MET . . . . . 0.528 ' HE3' HG13 ' A' ' 79' ' ' VAL . 44.5 mtm -63.53 -46.04 87.85 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.211 -0.45 . . . . 1.63 110.824 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 13.7 mmt -55.12 -43.99 74.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.003 0.43 . . . . 1.97 110.721 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -64.47 -44.46 90.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 3.84 110.543 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 143' ' ' ASP . 91.1 m -58.81 -41.42 86.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 1.61 110.799 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 136' ' ' MET . 75.2 t -62.74 -43.04 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.173 0.511 . . . . 1.79 110.89 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 49.0 mt -73.52 -37.8 65.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.457 -0.338 . . . . 2.05 111.196 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.687 ' HZ3' ' HB3' ' A' ' 142' ' ' LYS . 8.3 mtpm? -70.57 -28.52 64.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.019 0.438 . . . . 3.34 110.215 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.569 ' HA ' ' HG3' ' A' ' 146' ' ' LYS . 7.2 t70 -68.51 -31.48 70.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.445 0.64 . . . . 1.64 109.511 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.601 ' HZ3' ' HH ' ' A' ' 72' ' ' TYR . 17.0 ttmm -61.11 -42.69 98.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.435 -0.802 . . . . 2.41 109.104 172.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.539 ' ND1' ' HA ' ' A' ' 142' ' ' LYS . 26.2 m170 -65.92 -30.13 70.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.162 -0.927 . . . . 0.97 110.517 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.569 ' HG3' ' HA ' ' A' ' 143' ' ' ASP . 38.2 mttp -57.69 -47.2 83.01 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.951 -0.388 . . . . 3.26 109.951 173.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 59.0 mt -59.93 -40.36 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.742 -0.663 . . . . 1.32 110.492 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -54.03 -47.95 71.03 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.973 -0.558 . . . . 2.39 110.47 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -63.16 -40.21 96.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.873 -0.603 . . . . 2.47 110.628 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.506 HG23 ' HB3' ' A' ' 44' ' ' PHE . 68.9 m -59.84 -51.46 69.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 1.44 111.302 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.17 -41.49 89.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 1.68 110.444 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.35 99.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 1.24 111.487 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 20.2 m -66.75 -45.5 78.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.533 -0.303 . . . . 1.27 110.634 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.3 -31.68 72.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.936 0.398 . . . . 1.97 110.643 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.551 ' O ' ' HB3' ' A' ' 158' ' ' LYS . 21.1 t70 -64.22 -37.8 88.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.01 -0.541 . . . . 0.78 111.033 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.508 ' OE2' ' HE2' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -77.6 -26.11 50.4 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.587 -0.445 . . . . 2.52 110.139 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.638 ' HH ' ' HZ1' ' A' ' 51' ' ' LYS . 8.5 m-85 -66.28 -39.51 89.46 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.61 -0.515 . . . . 1.28 109.61 171.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 155' ' ' ASP . 19.8 ttpt -55.45 -38.71 69.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.333 -0.849 . . . . 2.51 110.173 172.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 156' ' ' GLU . 56.1 ttp180 -63.62 -47.22 82.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.503 -0.771 . . . . 4.22 110.768 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.508 ' HE2' ' OE2' ' A' ' 156' ' ' GLU . 23.5 mttm -63.22 -42.2 99.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.47 -0.332 . . . . 3.38 111.473 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -68.5 95.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.197 0.522 . . . . 1.97 111.05 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 9.7 p -96.41 -5.82 38.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.779 -0.646 . . . . 4.06 110.758 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 172.76 -176.22 45.65 Favored Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.637 -0.711 . . . . 3.39 111.546 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 70.63 29.17 69.92 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.974 -0.631 . . . . 3.62 111.799 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 39.0 t -165.15 135.57 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.981 0.419 . . . . 3.61 110.427 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -96.89 -11.55 24.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.44 0.638 . . . . 4.07 109.671 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -86.19 -4.28 84.13 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.204 -0.907 . . . . 1.78 112.686 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 1.5 m -66.3 -50.51 63.42 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.97 0.385 . . . . 2.0 110.956 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -72.67 -29.46 63.45 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.99 0.424 . . . . 4.19 110.365 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' MET . . . . . 0.413 ' HE2' ' HB3' ' A' ' 170' ' ' MET . 15.1 tmm? -67.15 -33.92 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 1.53 109.681 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.551 ' O ' ' HG3' ' A' ' 175' ' ' LYS . 73.2 t80 -61.81 -32.26 72.55 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.463 -0.789 . . . . 0.99 110.874 177.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.405 ' HG3' ' HE2' ' A' ' 175' ' ' LYS . 36.3 tt0 -62.57 -49.17 76.32 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.131 0.491 . . . . 2.38 110.282 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -61.79 -30.07 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.664 . . . . 2.29 109.807 174.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.438 HH21 ' HB2' ' A' ' 65' ' ' LEU . 3.6 tmt_? -72.82 -29.6 63.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.285 -0.87 . . . . 4.06 110.916 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 33.8 mtmt -64.7 -56.19 15.28 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.233 -0.654 . . . . 1.78 109.233 177.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.37 -34.0 77.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.267 -0.879 . . . . 1.35 110.802 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -58.25 -52.12 66.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 2.5 109.989 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.16 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.578 -0.737 . . . . 1.48 111.344 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 86.6 mt -56.72 -48.9 76.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 2.23 111.39 -176.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -68.7 -39.53 80.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.205 -0.452 . . . . 3.56 111.52 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' THR . . . . . 0.508 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 34.6 m -70.95 -40.93 71.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.197 0.523 . . . . 1.74 110.645 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 27.9 ttt -65.05 -42.73 93.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.769 -0.651 . . . . 1.17 110.639 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -66.86 -33.55 75.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 1.26 111.671 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 181' ' ' THR . 4.0 ptmm? -71.75 -40.79 69.11 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.6 0.714 . . . . 3.33 109.94 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.65 ' HD3' HG23 ' A' ' 73' ' ' THR . 45.4 mttp -73.94 -29.68 62.15 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.923 -1.035 . . . . 2.71 111.119 175.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.09 -31.32 72.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.034 -0.53 . . . . 1.16 110.971 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 93.0 mt -64.89 -34.64 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.989 -0.551 . . . . 3.01 110.52 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -70.37 -35.16 73.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 3.19 110.366 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.562 ' HG ' HG11 ' A' ' 76' ' ' VAL . 7.5 tt -59.94 -44.1 94.58 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.229 -0.656 . . . . 1.95 109.229 174.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.4 -43.18 93.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.525 -0.761 . . . . 2.72 110.668 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.77 -32.15 73.7 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.484 -0.326 . . . . 2.86 111.205 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' ILE . . . . . 0.563 HD11 HG13 ' A' ' 76' ' ' VAL . 20.4 mt -55.98 -52.28 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 1.6 110.218 175.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.641 ' O ' ' HG3' ' A' ' 197' ' ' ARG . 13.3 p -68.83 -42.24 77.46 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.769 -0.372 . . . . 2.11 111.198 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.78 -55.1 33.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 3.84 111.427 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.91 -43.59 74.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.516 . . . . 4.02 111.319 -174.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.483 ' O ' ' HB ' ' A' ' 200' ' ' ILE . 2.7 mm? -59.44 -27.8 66.39 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 111.962 0.356 . . . . 3.89 111.962 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 193' ' ' THR . 65.3 mtp180 -53.42 -26.65 20.76 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.349 0.522 . . . . 6.49 111.212 175.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -106.86 -45.1 4.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.854 0.359 . . . . 4.3 110.474 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.63 -2.78 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.601 0.593 . . . . 5.29 112.601 -174.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.952 HG13 ' HA2' ' A' ' 84' ' ' GLY . 18.3 tt -78.08 -25.78 14.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.872 0.367 . . . . 3.27 110.042 177.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.554 ' N ' ' HD2' ' A' ' 202' ' ' PRO . 19.2 mm-40 -44.46 -42.64 14.16 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 115.518 1.673 . . . . 6.5 115.518 -172.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 201' ' ' GLU . 7.7 Cg_endo -51.65 -15.87 3.23 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.686 2.257 . . . . 7.52 114.215 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . 0.725 ' HG3' ' H ' ' A' ' 204' ' ' LEU . 15.2 pttp -40.57 -74.02 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.772 1.026 . . . . 7.15 113.772 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.725 ' H ' ' HG3' ' A' ' 203' ' ' LYS . 3.5 mm? -74.8 -28.75 60.85 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 121.105 -0.238 . . . . 6.12 111.447 -175.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.24 -46.01 88.91 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.835 0.35 . . . . 9.31 110.365 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . 0.401 ' HE2' ' HB2' ' A' ' 206' ' ' LYS . 15.8 tppt? -61.38 -54.46 43.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.92 -0.582 . . . . 10.86 110.475 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.961 HD21 HD12 ' A' ' 123' ' ' ILE . 5.3 tt -57.09 -40.0 76.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.342 -0.844 . . . . 7.6 111.308 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . 0.438 ' HG3' ' HD2' ' A' ' 212' ' ' ARG . 38.7 ttt180 -68.72 -50.36 51.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.616 -0.265 . . . . 9.74 110.909 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -68.6 -44.56 74.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.872 0.368 . . . . 13.37 111.544 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -83.71 -55.59 4.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.311 -0.404 . . . . 11.25 111.872 -172.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' LYS . . . . . 0.764 ' HG3' HD13 ' A' ' 215' ' ' LEU . 37.9 ttmt -78.31 -56.61 4.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.825 0.305 . . . . 10.09 111.825 -173.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.484 HH21 HG22 ' A' ' 123' ' ' ILE . 99.2 mtt180 -60.18 -53.31 59.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.741 0.305 . . . . 12.99 111.567 -174.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.859 ' HA ' ' HD2' ' A' ' 217' ' ' PHE . . . -63.9 -57.89 8.44 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.546 0.572 . . . . 13.26 112.546 -172.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . 0.63 ' O ' ' HB2' ' A' ' 218' ' ' GLN . 73.4 t80 -73.7 -36.64 65.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.153 0.427 . . . . 14.02 112.153 -171.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.764 HD13 ' HG3' ' A' ' 211' ' ' LYS . 84.3 mt -78.68 -52.58 8.21 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.472 -0.491 . . . . 11.97 111.774 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' ASP . . . . . 0.513 ' CG ' HG21 ' A' ' 119' ' ' VAL . 18.9 t0 -78.72 -65.55 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.435 0.531 . . . . 12.73 112.435 -174.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . 0.859 ' HD2' ' HA ' ' A' ' 213' ' ' ALA . 42.4 m-85 -64.76 -40.31 95.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 14.13 111.753 -170.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . 0.63 ' HB2' ' O ' ' A' ' 214' ' ' PHE . 27.4 mm-40 -73.63 96.5 2.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.334 0.588 . . . . 15.76 111.02 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -89.69 -39.42 13.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.608 -0.723 . . . . 15.78 109.54 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 13.1 p -119.34 162.98 17.87 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.309 -0.86 . . . . 17.94 110.144 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.967 -0.539 . . . . 17.45 111.221 177.623 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 112.023 -0.431 . . . . 21.59 112.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.471 ' HE2' ' HA ' ' A' ' 5' ' ' ALA . 9.5 t60 -159.73 102.21 1.5 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.4 -0.592 . . . . 21.37 109.4 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.6 ttm -92.79 -42.3 9.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.399 -0.364 . . . . 18.72 111.043 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -104.8 101.33 10.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.072 0.463 . . . . 18.04 111.06 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.471 ' HA ' ' HE2' ' A' ' 2' ' ' HIS . . . -94.53 113.41 25.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.847 -0.615 . . . . 14.86 110.26 177.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -104.51 116.76 48.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.063 -0.517 . . . . 12.67 110.39 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.457 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 23.9 p -103.16 134.7 19.63 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.273 -0.421 . . . . 10.33 110.327 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 7' ' ' THR . 5.7 Cg_exo -78.56 13.81 1.78 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 123.233 2.622 . . . . 9.43 112.638 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.6 tpt -115.24 85.56 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.857 0.36 . . . . 8.64 110.389 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 tptm 177.57 91.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.71 . . . . 7.1 109.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -163.54 142.99 8.34 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.893 -0.594 . . . . 6.84 109.592 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.33 125.48 91.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.545 -0.539 . . . . 3.56 109.545 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.71 119.25 3.13 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.334 2.689 . . . . 2.04 112.834 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mt -61.31 -34.73 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.429 -0.805 . . . . 2.8 110.052 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.613 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 7.8 mp -62.5 -46.87 86.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.357 -0.838 . . . . 2.67 110.097 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.68 90.9 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.0 -0.545 . . . . 1.51 111.21 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -60.97 -44.78 96.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.073 0.463 . . . . 2.85 110.067 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.551 ' O ' ' HG2' ' A' ' 22' ' ' MET . 60.8 t80 -63.81 -39.85 95.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.594 -0.73 . . . . 1.72 110.755 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 27.2 mm-40 -59.1 -54.09 51.02 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.125 -0.489 . . . . 2.43 111.557 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.79 -35.05 79.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.886 0.374 . . . . 1.99 110.486 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.57 ' CZ3' ' HE1' ' A' ' 43' ' ' TYR . 9.7 m0 -58.99 -46.04 89.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.954 -0.566 . . . . 1.36 110.697 175.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.659 ' HE1' ' HG ' ' A' ' 40' ' ' LEU . 26.6 mmt -62.13 -43.25 99.25 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.296 -0.411 . . . . 2.03 110.371 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HE2' ' HB2' ' A' ' 23' ' ' LYS . 14.2 tppt? -59.46 -45.83 90.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 3.79 110.672 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.8 ttm -71.82 -40.07 69.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.97 -0.559 . . . . 2.09 111.234 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.57 -44.8 73.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 1.46 111.636 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -66.99 -35.46 80.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 1.75 111.408 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.76 -3.45 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.937 0.398 . . . . 2.5 110.688 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.9 m120 62.82 37.83 12.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.752 -0.658 . . . . 2.77 112.0 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -108.46 26.9 9.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.261 0.553 . . . . 3.7 111.047 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 35' ' ' SER . 5.1 tt -81.97 112.07 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.845 -0.616 . . . . 1.4 110.006 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.636 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 41.1 m-80 -69.35 146.2 52.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.02 -0.537 . . . . 2.15 109.819 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -66.96 -31.19 71.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.741 0.305 . . . . 1.51 111.179 -178.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.7 -48.32 77.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.19 0.519 . . . . 1.75 110.815 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.636 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 2.0 p-10 -99.14 14.93 27.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.965 -0.561 . . . . 1.45 111.018 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.458 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 20.5 t -66.31 -22.96 66.3 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.806 -1.183 . . . . 1.76 107.806 171.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -74.49 138.82 43.44 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.796 -1.093 . . . . 0.94 109.276 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 69.27 4.81 4.78 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.937 -1.029 . . . . 2.77 111.5 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.507 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -104.49 24.89 10.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.845 0.355 . . . . 2.08 110.478 177.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.9 119.66 20.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.239 0.542 . . . . 1.52 111.237 -175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.667 HD12 HG13 ' A' ' 71' ' ' ILE . 8.7 mp -70.45 -20.92 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.467 -0.788 . . . . 2.26 109.993 174.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.821 ' HA ' ' HD2' ' A' ' 44' ' ' PHE . 12.6 mt -65.79 -29.62 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 114.638 -1.165 . . . . 2.48 112.327 -170.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.75 -31.65 72.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 2.45 110.757 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.57 ' HE1' ' CZ3' ' A' ' 21' ' ' TRP . 67.0 m-85 -71.59 -29.36 64.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 2.15 112.021 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.821 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 73.9 m-85 -58.01 -34.03 69.58 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.633 0.234 . . . . 2.68 111.633 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.54 ' CE1' ' HG2' ' A' ' 146' ' ' LYS . 33.2 m170 -66.3 -46.45 76.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.683 -0.235 . . . . 1.84 111.059 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 48' ' ' SER . 2.1 m-20 -61.35 -50.76 71.6 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.552 -0.536 . . . . 2.94 109.552 175.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.1 ttt 71.52 -14.89 0.46 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.301 -0.863 . . . . 1.99 112.356 172.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 46' ' ' ASP . 3.5 m -58.73 -26.07 63.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.478 0.548 . . . . 4.03 112.478 -174.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.3 mt -89.45 -9.45 50.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.944 0.402 . . . . 2.71 111.36 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD22 HG21 ' A' ' 64' ' ' THR . 97.1 mt -111.76 -30.76 7.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.467 0.651 . . . . 3.85 110.018 178.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 29.0 ttpp -83.03 137.72 34.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.354 -0.839 . . . . 3.76 109.898 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -119.3 99.1 6.49 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.184 -0.673 . . . . 2.55 109.184 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.85 -114.0 3.74 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.774 -0.727 . . . . 1.75 111.898 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -102.75 -11.67 18.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.763 0.316 . . . . 2.87 111.112 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.4 t -127.47 163.59 23.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.742 -0.466 . . . . 2.03 109.742 -175.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 7.1 p -113.12 132.59 61.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.385 0.612 . . . . 1.26 111.335 -174.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -70.31 101.73 1.98 Allowed 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.082 -0.963 . . . . 2.33 109.852 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.678 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 61.0 m-85 -62.89 -10.31 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 1.02 110.418 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -71.82 -58.71 3.23 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.286 -0.635 . . . . 1.97 109.286 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -71.61 -27.64 63.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.834 -0.621 . . . . 2.82 110.321 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.678 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -65.98 -44.03 86.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 1.25 111.304 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.71 ' HB2' ' HG2' ' A' ' 174' ' ' ARG . 55.9 p -66.09 -39.52 90.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.884 0.373 . . . . 1.46 110.466 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.88 -45.06 94.34 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.014 -0.539 . . . . 1.79 110.766 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.488 HG21 HD22 ' A' ' 50' ' ' LEU . 17.3 p -75.18 -28.9 60.24 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.326 -0.397 . . . . 1.96 111.67 -178.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.38 -43.31 77.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.098 0.475 . . . . 2.2 109.92 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.58 -46.59 85.17 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.842 -0.617 . . . . 0.82 110.303 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' O ' HG12 ' A' ' 71' ' ' ILE . . . -62.09 -32.11 81.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.388 -0.823 . . . . 0.61 111.764 176.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.613 ' SG ' HG12 ' A' ' 41' ' ' ILE . 51.8 t -60.2 -41.99 94.15 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.519 0.327 . . . . 1.93 110.563 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.06 -40.13 82.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.103 0.478 . . . . 2.13 110.106 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -66.67 -50.77 61.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 3.41 111.111 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.667 HG13 HD12 ' A' ' 40' ' ' LEU . 49.4 mm -60.96 -38.99 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.011 0.434 . . . . 1.8 110.877 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.795 ' HH ' ' HB2' ' A' ' 144' ' ' LYS . 46.6 t80 -58.41 -56.04 27.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 1.14 110.312 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 p -70.96 -26.16 63.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.015 -0.539 . . . . 1.34 111.531 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.3 t -59.89 -40.22 87.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.075 0.464 . . . . 1.89 109.878 174.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.523 ' O ' HG21 ' A' ' 79' ' ' VAL . 78.0 mtp180 -73.03 -33.51 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 2.35 110.39 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 72' ' ' TYR . 56.1 t -61.65 -46.44 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.081 0.467 . . . . 1.48 109.992 175.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.43 -39.11 78.9 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.732 -0.667 . . . . 1.87 110.373 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.8 m -61.99 -38.26 87.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.086 -0.506 . . . . 1.71 110.873 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 75' ' ' ARG . 27.3 t -62.1 -48.56 87.91 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 N-CA-C 110.098 -0.334 . . . . 2.02 110.098 176.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.12 75.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 1.45 110.888 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 m -69.25 -33.58 73.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.877 -0.602 . . . . 2.29 110.302 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' OE1' ' HD2' ' A' ' 85' ' ' LYS . 15.2 tp10 -77.24 -31.85 55.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.079 0.466 . . . . 2.42 109.853 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.7 m -61.24 -44.58 97.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.656 -0.702 . . . . 3.15 110.011 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.65 -33.41 77.23 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.253 -0.885 . . . . 4.2 112.883 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 51.2 mttp -63.52 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.889 0.344 . . . . 4.88 111.241 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.5 mt -72.92 -38.44 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.86 0.362 . . . . 5.71 110.77 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.9 -38.95 76.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.024 -0.534 . . . . 6.68 110.452 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -67.97 -30.98 70.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 8.18 109.864 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.49 -26.93 67.11 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.994 -0.548 . . . . 8.78 112.572 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.485 HD23 ' HG3' ' A' ' 203' ' ' LYS . 96.7 mt -72.19 -40.4 67.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.118 0.485 . . . . 8.69 110.349 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.85 -8.33 59.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.747 -0.66 . . . . 10.13 111.137 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.85 -32.33 73.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 12.11 110.615 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 p -134.56 96.25 3.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.724 -0.671 . . . . 11.83 109.984 175.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -97.2 -19.7 18.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 11.37 111.417 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -106.46 111.48 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 13.64 110.731 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.4 m -103.18 8.37 38.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.98 -0.555 . . . . 13.75 110.665 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -77.76 79.78 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.355 0.598 . . . . 16.47 110.181 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -125.24 138.04 54.11 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.448 -0.797 . . . . 14.75 110.213 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -93.08 129.44 39.05 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 109.525 -0.546 . . . . 17.05 109.525 173.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -98.88 147.16 25.23 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.111 -0.495 . . . . 14.47 109.875 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -67.0 -36.79 82.94 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.308 -0.627 . . . . 18.27 109.308 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.37 111.23 12.83 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.954 -1.021 . . . . 15.08 109.863 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -79.61 -32.67 41.84 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.994 -0.548 . . . . 16.29 109.751 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 127.26 115.48 1.93 Allowed Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.416 -0.811 . . . . 14.8 111.493 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.34 141.91 47.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.0 -0.619 . . . . 16.02 112.506 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -74.89 -35.22 50.99 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.757 -0.735 . . . . 15.61 111.434 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.1 t 74.83 -44.97 0.56 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.812 0.845 . . . . 16.05 111.813 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.23 67.8 0.74 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.746 -0.74 . . . . 16.77 111.415 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 129.98 32.78 0.53 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.319 -0.712 . . . . 17.38 111.319 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.3 t -131.91 95.36 3.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.964 0.411 . . . . 18.07 110.014 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.05 -68.23 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.058 -0.519 . . . . 17.15 110.06 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 9.1 ptm180 -99.96 110.93 23.25 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.313 0.577 . . . . 15.45 109.751 173.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -78.77 79.66 5.17 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.361 -0.607 . . . . 17.85 109.361 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -170.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.553 -0.749 . . . . 14.83 112.718 -172.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.786 HG21 ' HE3' ' A' ' 120' ' ' MET . 45.7 mt -78.46 118.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.101 -0.954 . . . . 12.01 110.742 -174.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.414 ' N ' HD21 ' A' ' 116' ' ' ASN . 0.9 OUTLIER -73.52 131.12 82.87 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.393 -0.595 . . . . 11.89 109.393 174.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.29 -21.06 58.59 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.621 2.214 . . . . 11.3 111.733 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 121' ' ' ASN . 34.1 mmtp -66.38 -26.03 67.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.61 -0.723 . . . . 11.18 110.874 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.581 HG11 ' HD3' ' A' ' 212' ' ' ARG . 86.9 t -65.89 -37.07 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.365 0.603 . . . . 8.95 109.934 177.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.786 ' HE3' HG21 ' A' ' 115' ' ' ILE . 0.5 OUTLIER -68.98 -13.13 62.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.584 -0.735 . . . . 9.07 111.541 178.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 121' ' ' ASN . 0.9 OUTLIER -71.34 -24.83 62.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.3 0.571 . . . . 7.57 109.516 176.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 53.5 ttp -74.47 -37.75 63.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.762 -0.654 . . . . 7.62 109.951 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.572 ' O ' HG21 ' A' ' 126' ' ' VAL . 46.9 mm -65.67 -29.06 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.335 -0.848 . . . . 5.77 110.581 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 16.9 t70 -49.39 -29.91 7.05 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.806 -0.634 . . . . 4.81 111.77 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.6 t -54.88 -49.64 70.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.07 -0.513 . . . . 4.31 111.117 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 123' ' ' ILE . 17.0 m -72.44 -30.83 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.561 0.22 . . . . 4.22 110.843 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.432 ' HG2' HD21 ' A' ' 204' ' ' LEU . 44.1 mt-10 -65.46 -52.26 54.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.424 . . . . 4.32 111.029 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 124' ' ' ASP . 21.7 ptmt -66.02 -35.92 81.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.335 -0.393 . . . . 4.91 111.185 -176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -69.09 -34.77 75.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.022 0.439 . . . . 5.02 110.35 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -63.52 -39.21 93.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.929 -0.578 . . . . 3.16 110.423 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.37 -32.74 71.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.626 -0.715 . . . . 3.96 110.622 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.1 m -66.81 -31.97 72.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 1.99 110.837 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.464 ' HB3' HD22 ' A' ' 196' ' ' LEU . 4.5 mm? -65.45 -46.71 78.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.971 0.415 . . . . 2.57 110.308 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.47 -39.6 88.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.768 -0.651 . . . . 4.02 109.813 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -56.73 -50.59 71.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.648 -0.705 . . . . 1.92 111.204 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 69.7 mtm -62.9 -37.68 87.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.738 -0.21 . . . . 1.63 111.06 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.527 ' HE1' ' HA ' ' A' ' 193' ' ' THR . 12.2 mmt -58.41 -50.26 74.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 1.97 110.629 174.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -57.58 -36.76 72.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.204 -0.453 . . . . 3.84 110.665 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' THR . . . . . 0.41 HG21 HH22 ' A' ' 75' ' ' ARG . 54.5 m -66.86 -52.82 38.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.639 -0.709 . . . . 1.61 111.627 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.609 HG12 HD13 ' A' ' 141' ' ' LEU . 10.8 p -66.3 -39.32 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 120.989 -0.284 . . . . 1.79 111.56 -175.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.609 HD13 HG12 ' A' ' 140' ' ' VAL . 7.5 mp -65.27 -27.49 68.68 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.08 -0.388 . . . . 2.05 111.379 174.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -67.77 -33.55 75.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 3.34 109.841 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.488 ' HB3' HD12 ' A' ' 41' ' ' ILE . 7.6 m-20 -67.1 -31.39 71.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.031 -0.531 . . . . 1.64 110.432 175.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.795 ' HB2' ' HH ' ' A' ' 72' ' ' TYR . 38.2 ttpt -58.74 -41.52 86.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.755 -0.461 . . . . 2.41 109.755 174.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.478 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 29.1 m170 -61.47 -39.26 90.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.705 -0.68 . . . . 0.97 110.656 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.54 ' HG2' ' CE1' ' A' ' 45' ' ' HIS . 87.0 mttt -59.75 -39.9 86.34 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.242 0.544 . . . . 3.26 110.117 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 143' ' ' ASP . 69.6 mt -61.82 -48.06 90.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.544 -0.753 . . . . 1.32 110.308 178.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 144' ' ' LYS . 63.1 mm-40 -53.33 -48.76 68.19 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.836 -0.62 . . . . 2.39 111.012 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 41.3 mt-10 -62.44 -46.59 87.86 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.62 -0.718 . . . . 2.47 111.143 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 24.3 m -64.23 -44.05 93.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.94 -0.573 . . . . 1.44 111.379 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.6 -46.37 90.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.602 0.239 . . . . 1.68 110.91 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.94 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 1.24 110.876 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.9 m -68.18 -49.57 60.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 1.27 110.693 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.13 -40.19 95.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.282 -0.417 . . . . 1.97 110.92 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.429 ' HA ' ' HE2' ' A' ' 171' ' ' PHE . 23.0 t70 -63.52 -29.58 70.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.961 -0.563 . . . . 0.78 110.772 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.89 -36.88 64.83 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.284 -0.416 . . . . 2.52 110.315 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -61.42 -46.11 91.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.636 -0.505 . . . . 1.28 109.636 172.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 158' ' ' LYS . 11.9 ttpt -59.55 -36.86 77.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 2.51 110.855 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -64.28 -48.59 75.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.698 -0.683 . . . . 4.22 111.164 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -71.45 -28.7 64.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.681 0.277 . . . . 3.38 111.083 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -69.83 160.92 30.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.164 0.507 . . . . 1.97 111.052 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 15.8 m -76.91 133.97 39.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.752 -0.658 . . . . 4.06 110.505 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.472 ' HA2' HG23 ' A' ' 168' ' ' THR . . . -69.42 -26.61 74.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.948 -0.644 . . . . 3.39 112.587 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -80.95 -3.46 90.61 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.98 -0.629 . . . . 3.62 112.61 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 64.8 m -81.8 149.82 28.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.646 0.26 . . . . 3.61 110.378 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -73.47 135.26 44.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.414 -0.357 . . . . 4.07 110.115 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 109.95 -38.87 3.11 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.845 -0.693 . . . . 1.78 111.64 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.472 HG23 ' HA2' ' A' ' 163' ' ' GLY . 5.1 m -59.18 -49.32 78.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.061 0.458 . . . . 2.0 110.967 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -72.0 -33.03 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.868 -0.605 . . . . 4.19 110.21 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 58.4 ttp -63.7 -44.35 93.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 1.53 110.259 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.429 ' HE2' ' HA ' ' A' ' 155' ' ' ASP . 84.0 t80 -68.41 -44.04 75.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.014 -0.539 . . . . 0.99 110.914 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.86 -45.74 85.88 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.276 0.56 . . . . 2.38 110.12 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.65 -43.72 92.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.158 -0.928 . . . . 2.29 111.24 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.71 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 16.3 tpp180 -67.5 -38.0 83.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 4.06 111.049 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 36.2 ttpt -61.58 -51.57 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.602 -0.272 . . . . 1.78 111.071 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.03 -36.61 80.0 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.132 -0.227 . . . . 1.35 111.13 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.0 -41.7 74.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.731 0.3 . . . . 2.5 110.538 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.53 95.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 1.48 110.721 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 87.0 mt -67.24 -35.35 79.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.085 0.469 . . . . 2.23 110.589 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.77 -52.32 57.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 3.56 110.607 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' THR . . . . . 0.451 ' O ' ' HD3' ' A' ' 185' ' ' LYS . 13.2 t -71.16 -32.55 69.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.297 -0.41 . . . . 1.74 110.511 -178.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 26.6 ttt -60.6 -39.16 87.14 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.403 -0.221 . . . . 1.17 110.403 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . 0.517 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -62.93 -38.68 91.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.876 0.37 . . . . 1.26 110.838 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -67.67 -41.3 83.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 3.33 110.819 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 181' ' ' THR . 5.0 mptp? -69.81 -35.18 74.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 2.71 110.391 176.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' ASP . . . . . 0.482 ' HA ' ' HB3' ' A' ' 189' ' ' LEU . 10.3 t70 -62.07 -34.04 75.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 1.16 110.892 178.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 93.2 mt -59.13 -48.74 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 3.01 111.086 178.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . 0.648 ' HZ2' ' HB3' ' A' ' 188' ' ' LYS . 0.2 OUTLIER -77.68 -30.17 51.81 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.019 -0.272 . . . . 3.19 110.809 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.595 HD21 ' HE2' ' A' ' 72' ' ' TYR . 8.0 tp -56.18 -61.8 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 1.95 110.746 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -67.67 -25.88 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 2.72 110.904 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -61.18 -44.45 97.28 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.719 -0.475 . . . . 2.86 109.719 174.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.9 -40.51 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 1.6 110.489 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.527 ' HA ' ' HE1' ' A' ' 137' ' ' MET . 5.4 m -60.24 -44.28 95.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.86 0.362 . . . . 2.11 111.213 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -69.27 -47.39 64.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.364 . . . . 3.84 110.76 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.7 tp -56.51 -43.52 79.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.936 -0.575 . . . . 4.02 110.605 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 133' ' ' LEU . 49.6 tp -55.04 -57.87 9.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.861 -0.609 . . . . 3.89 110.787 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -60.18 -33.95 72.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.433 -0.349 . . . . 6.49 111.571 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -82.08 -33.82 29.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.985 0.365 . . . . 4.3 111.985 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -96.36 -30.9 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.104 0.409 . . . . 5.29 112.104 -173.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.555 ' O ' ' HB3' ' A' ' 203' ' ' LYS . 5.8 tp -78.27 -25.85 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 3.27 111.055 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 202' ' ' PRO . 12.0 tp10 -64.78 -55.86 25.47 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 116.089 -0.505 . . . . 6.5 112.038 -177.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 201' ' ' GLU . 18.1 Cg_endo -60.15 -16.41 39.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 122.436 2.09 . . . . 7.52 112.671 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 200' ' ' ILE . 17.1 ttpp -54.78 -34.82 63.14 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.94 0.4 . . . . 7.15 110.727 175.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.432 HD21 ' HG2' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -71.01 -49.04 49.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 6.12 110.511 -178.687 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.77 -35.01 78.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.165 0.507 . . . . 9.31 109.967 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . 0.824 ' HE3' ' HA ' ' A' ' 206' ' ' LYS . 0.4 OUTLIER -64.41 -58.0 7.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.399 -0.819 . . . . 10.86 111.297 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 25.2 tp -71.81 -47.6 52.23 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.184 0.438 . . . . 7.6 112.184 -176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . 0.48 ' HB2' HG22 ' A' ' 123' ' ' ILE . 72.2 ttt180 -70.66 -52.63 19.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.078 0.399 . . . . 9.74 112.078 -172.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -70.63 -49.99 41.62 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.929 0.344 . . . . 13.37 111.929 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.8 -38.06 89.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.925 -0.58 . . . . 11.25 111.144 -173.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -57.79 -46.41 84.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 10.09 110.585 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.581 ' HD3' HG11 ' A' ' 119' ' ' VAL . 22.7 mmm180 -81.93 -25.7 34.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.346 -0.388 . . . . 12.99 111.087 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.461 ' HA ' ' HB2' ' A' ' 217' ' ' PHE . . . -68.59 -43.69 75.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.009 0.433 . . . . 13.26 110.438 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -73.41 -51.1 18.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.92 -0.582 . . . . 14.02 111.105 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 88.8 mt -79.34 -55.89 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.246 0.461 . . . . 11.97 112.246 -175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 212' ' ' ARG . 14.7 t70 -77.31 -59.07 2.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.498 -0.319 . . . . 12.73 111.493 -171.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . 0.597 ' HE2' HD12 ' A' ' 115' ' ' ILE . 8.7 m-85 -62.82 -65.47 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 14.13 112.027 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -80.41 75.56 7.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.837 -0.62 . . . . 15.76 111.403 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -73.2 -36.89 66.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.682 -0.69 . . . . 15.78 109.813 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 33.7 p -107.73 138.91 43.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.174 -0.921 . . . . 17.94 110.355 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.564 -0.731 . . . . 17.45 110.736 179.737 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.162 -0.375 . . . . 21.59 112.162 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 66.46 -80.67 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.386 0.674 . . . . 21.37 111.729 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -162.91 168.67 20.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.619 -0.511 . . . . 18.72 109.619 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 4' ' ' ARG . 16.2 tpt180 -125.26 135.91 53.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.701 0.286 . . . . 18.04 110.465 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.58 141.81 53.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 14.86 111.29 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -101.27 151.85 5.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.663 -0.699 . . . . 12.67 110.361 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -65.2 121.55 75.04 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.868 0.366 . . . . 10.33 110.821 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.93 -41.19 30.59 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.644 2.23 . . . . 9.43 112.543 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.2 tpt -103.77 83.98 2.21 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.677 -0.692 . . . . 8.64 110.94 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 1.8 tmtp? -173.2 98.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.415 -0.811 . . . . 7.1 108.832 175.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -124.8 -42.24 2.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.043 -0.526 . . . . 6.84 110.421 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -89.13 139.46 28.76 Favored Pre-proline 0 N--CA 1.444 -0.748 0 CA-C-N 116.027 -0.533 . . . . 3.56 110.076 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -57.76 141.28 95.6 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.519 2.146 . . . . 2.04 111.769 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mm -57.14 -38.58 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.948 -0.569 . . . . 2.8 111.51 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.502 HD13 ' N ' ' A' ' 16' ' ' ALA . 3.6 pp -58.68 -29.88 66.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.027 -0.533 . . . . 2.67 112.049 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.502 ' N ' HD13 ' A' ' 15' ' ' LEU . . . -74.98 -28.59 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 1.51 111.238 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.867 HD21 ' HH ' ' A' ' 43' ' ' TYR . 67.0 t30 -70.7 -35.96 73.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.147 0.499 . . . . 2.85 110.045 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 22' ' ' MET . 37.2 t80 -76.23 -26.46 56.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.196 0.522 . . . . 1.72 110.171 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -67.14 -43.13 83.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 2.43 111.837 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.44 -32.72 74.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.066 0.46 . . . . 1.99 110.014 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.402 ' HZ3' ' O ' ' A' ' 39' ' ' ALA . 37.5 m0 -61.83 -39.06 90.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.703 -0.68 . . . . 1.36 110.659 176.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.531 ' HE1' ' HA ' ' A' ' 22' ' ' MET . 29.0 mmt -66.85 -39.66 87.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 2.03 110.347 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.91 -36.9 85.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.157 0.503 . . . . 3.79 110.415 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.98 ' HG3' ' HG3' ' A' ' 29' ' ' LYS . 38.1 ttm -74.24 -38.81 63.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.12 -0.491 . . . . 2.09 110.918 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.79 79.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 1.46 112.2 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.3 p -59.69 -45.69 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.047 0.451 . . . . 1.75 111.403 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.43 -0.52 57.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.792 -0.64 . . . . 2.5 110.669 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 t30 55.88 39.46 30.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.166 -0.924 . . . . 2.77 111.111 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.98 ' HG3' ' HG3' ' A' ' 24' ' ' MET . 18.5 ptmt -91.56 20.74 5.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.047 -0.524 . . . . 3.7 110.44 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 35' ' ' SER . 5.2 tt -80.18 114.74 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.604 -0.725 . . . . 1.4 110.084 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.409 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 45.0 m-80 -82.67 146.11 29.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.071 -0.513 . . . . 2.15 110.184 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.506 ' HA ' ' OG ' ' A' ' 35' ' ' SER . . . -62.51 -31.08 71.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.105 -0.498 . . . . 1.51 111.994 -173.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.31 75.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.899 0.38 . . . . 1.75 110.914 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.511 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 2.1 p-10 -111.42 13.56 21.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.41 -0.359 . . . . 1.45 111.662 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.506 ' OG ' ' HA ' ' A' ' 32' ' ' ALA . 69.5 m -63.96 -26.8 68.74 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.97 0.891 . . . . 1.76 108.745 171.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.436 ' O ' ' HB3' ' A' ' 37' ' ' ASN . 28.3 m95 -88.03 135.36 33.45 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.645 -1.161 . . . . 0.94 108.751 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' HB3' ' O ' ' A' ' 36' ' ' TRP . 28.7 t-20 80.23 0.25 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.768 1.293 . . . . 2.77 110.023 -171.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.511 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -105.17 23.39 13.73 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.867 -0.606 . . . . 2.08 109.733 172.369 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -70.23 119.44 14.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.246 -0.434 . . . . 1.52 111.128 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.623 HD12 HD13 ' A' ' 71' ' ' ILE . 7.2 mp -69.3 -25.24 64.13 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.875 -0.602 . . . . 2.26 110.926 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.435 ' HA ' ' HB3' ' A' ' 44' ' ' PHE . 9.7 tp -59.62 -28.82 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 2.48 111.799 -174.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.1 -47.71 84.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.119 0.485 . . . . 2.45 110.157 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.867 ' HH ' HD21 ' A' ' 17' ' ' ASN . 86.8 m-85 -84.62 -30.67 24.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.524 -0.762 . . . . 2.15 111.303 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' HB3' ' HA ' ' A' ' 41' ' ' ILE . 21.9 t80 -59.81 -33.42 71.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.407 -0.36 . . . . 2.68 110.658 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -23.46 67.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 1.84 110.894 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 47' ' ' MET . 12.9 t70 -100.54 1.02 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.581 . . . . 2.94 109.582 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.469 ' HE1' HD13 ' A' ' 154' ' ' LEU . 63.6 mtt 73.07 176.28 0.27 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.243 -0.889 . . . . 1.99 111.541 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.5 m -52.36 130.33 30.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.678 -0.692 . . . . 4.03 111.072 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 43' ' ' TYR . 4.6 mm? -66.98 -18.85 65.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 2.71 111.313 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.01 23.6 4.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.37 -0.377 . . . . 3.85 110.836 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -70.18 169.43 13.63 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.65 -0.5 . . . . 3.76 109.65 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -105.1 96.93 6.87 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.902 0.382 . . . . 2.55 110.338 -176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.74 -107.87 2.18 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.337 -0.705 . . . . 1.75 111.337 -175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -112.07 -2.8 14.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.431 -0.581 . . . . 2.87 109.431 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 t -88.89 149.66 23.24 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.585 -0.734 . . . . 2.03 109.129 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.55 131.36 71.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.577 0.703 . . . . 1.26 110.972 -173.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.669 ' HB2' ' HG2' ' A' ' 60' ' ' LYS . 6.3 m120 -80.41 113.85 18.88 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.948 -1.024 . . . . 2.33 108.381 177.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.478 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 47.4 m-85 -63.87 -11.26 26.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.417 -0.356 . . . . 1.02 111.076 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -72.54 -58.31 3.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.272 0.558 . . . . 1.97 110.014 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.669 ' HG2' ' HB2' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -68.89 -30.94 69.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.471 -0.786 . . . . 2.82 110.634 178.041 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.429 ' HB3' HD21 ' A' ' 154' ' ' LEU . . . -65.96 -38.08 87.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 1.25 110.203 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.0 t -57.68 -48.92 78.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.71 -0.677 . . . . 1.46 110.293 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.16 -40.64 96.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 1.79 110.838 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.2 m -63.03 -44.19 96.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 1.96 110.715 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.23 -50.45 73.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.016 0.436 . . . . 2.2 110.676 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.33 -40.39 86.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.642 . . . . 0.82 110.953 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.81 -35.67 90.0 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.849 -0.614 . . . . 0.61 112.518 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.4 m -62.52 -40.56 97.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.473 0.137 . . . . 1.93 110.892 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.31 -42.79 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 120.989 0.423 . . . . 2.13 110.628 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -60.91 -51.87 67.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.672 -0.694 . . . . 3.41 111.134 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.623 HD13 HD12 ' A' ' 40' ' ' LEU . 14.4 tt -72.39 -34.12 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.167 -0.469 . . . . 1.8 111.153 -176.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.457 ' HE1' ' O ' ' A' ' 140' ' ' VAL . 57.6 t80 -54.66 -53.31 56.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.953 0.406 . . . . 1.14 110.978 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.692 HG22 ' HB3' ' A' ' 185' ' ' LYS . 7.0 p -71.28 -28.83 64.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.086 -0.506 . . . . 1.34 111.378 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.9 m -70.4 -26.6 63.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.109 0.481 . . . . 1.89 110.461 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -72.57 -29.14 63.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.79 -0.448 . . . . 2.35 109.79 173.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.886 HG13 HG13 ' A' ' 192' ' ' ILE . 21.7 t -68.33 -40.24 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.613 0.72 . . . . 1.48 109.435 172.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.7 -36.85 72.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 1.87 109.829 171.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.9 m -69.89 -37.86 76.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.516 -0.765 . . . . 1.71 111.866 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.66 HG11 ' O ' ' A' ' 76' ' ' VAL . 13.9 p -63.93 -40.13 87.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 C-N-CA 120.41 -0.516 . . . . 2.02 110.553 -178.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.543 ' HB1' HG21 ' A' ' 192' ' ' ILE . . . -70.12 -31.71 69.38 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.558 -0.457 . . . . 1.45 111.265 176.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.502 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 87.4 m -59.8 -32.18 70.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.235 0.54 . . . . 2.29 110.094 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.578 ' CB ' ' HE3' ' A' ' 136' ' ' MET . 5.4 tp10 -70.06 -49.31 52.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 2.42 110.423 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.69 HG23 ' HB3' ' A' ' 199' ' ' GLU . 0.2 OUTLIER -59.92 -43.12 95.1 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.015 -0.539 . . . . 3.15 111.646 -175.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -56.92 -36.48 73.52 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.069 -0.586 . . . . 4.2 112.54 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 81' ' ' THR . 51.4 mttm -72.95 -34.38 66.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.854 0.359 . . . . 4.88 110.785 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 84.3 mt -72.7 -45.55 58.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 5.71 110.378 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.792 HD11 ' HA ' ' A' ' 199' ' ' GLU . 89.6 mt -61.46 -35.67 78.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 6.68 110.668 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.2 t -57.75 -37.68 74.05 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.856 -0.611 . . . . 8.18 110.284 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -80.03 -32.42 35.99 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.007 -0.616 . . . . 8.78 112.189 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.683 HD23 ' HE2' ' A' ' 129' ' ' LYS . 82.0 mt -66.14 -29.65 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.647 0.261 . . . . 8.69 111.193 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.05 70.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 10.13 110.828 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -67.49 -29.2 68.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.812 -0.631 . . . . 12.11 110.722 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.0 t -76.32 -9.92 59.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.993 -0.549 . . . . 11.83 110.679 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -81.35 -28.07 34.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.971 0.415 . . . . 11.37 110.734 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.05 109.03 19.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.877 -0.602 . . . . 13.64 110.351 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.1 t -76.61 101.89 5.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.331 -0.618 . . . . 13.75 109.331 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -69.0 -47.33 65.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.059 -0.519 . . . . 16.47 110.387 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -69.61 119.48 13.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.285 -0.416 . . . . 14.75 109.916 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.23 116.98 5.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.044 -0.525 . . . . 17.05 110.724 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -78.11 145.12 35.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.852 -0.613 . . . . 14.47 110.2 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -74.37 -65.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.856 0.36 . . . . 18.27 110.386 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -151.38 120.85 6.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 15.08 110.756 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 t70 70.39 -66.13 0.29 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.624 -0.716 . . . . 16.29 111.777 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 133.35 -35.15 2.32 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.435 -0.666 . . . . 14.8 111.435 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.06 -169.77 23.21 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.398 -0.681 . . . . 16.02 111.398 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -105.97 -123.87 5.23 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.534 -0.841 . . . . 15.61 111.86 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.4 m -142.77 143.99 32.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.642 0.258 . . . . 16.05 110.368 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.59 -37.76 3.17 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.771 -0.728 . . . . 16.77 111.612 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 87.51 -128.12 8.83 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.978 -0.63 . . . . 17.38 111.839 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -81.0 -28.31 35.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.361 0.601 . . . . 18.07 109.714 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.33 95.89 5.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.296 -0.865 . . . . 17.15 109.908 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.497 ' HD2' ' HB2' ' A' ' 221' ' ' GLN . 44.4 mtm180 -108.2 -9.73 15.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.021 -0.536 . . . . 15.45 110.68 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -82.72 83.42 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.317 -0.994 . . . . 17.85 108.317 169.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.563 ' HZ3' ' HA ' ' A' ' 216' ' ' ASP . 0.0 OUTLIER -118.1 155.26 30.7 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.042 -0.526 . . . . 14.83 111.773 -169.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.438 HG22 HG13 ' A' ' 119' ' ' VAL . 79.3 mt -127.78 103.0 9.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.183 -0.673 . . . . 12.01 109.183 170.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -68.35 135.96 91.08 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.745 -0.661 . . . . 11.89 109.778 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.78 -27.77 54.21 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.695 2.263 . . . . 11.3 112.235 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.723 ' HG2' ' HG3' ' A' ' 122' ' ' MET . 36.0 ttpt -89.35 -4.19 58.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 11.18 111.358 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 123' ' ' ILE . 5.7 p -58.94 -38.04 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 121.227 0.537 . . . . 8.95 110.252 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.2 mmt -67.95 -44.07 77.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.497 -0.774 . . . . 9.07 110.558 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -71.24 -37.9 71.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.222 -0.899 . . . . 7.57 110.806 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.723 ' HG3' ' HG2' ' A' ' 118' ' ' LYS . 66.0 mtm -63.4 -45.1 92.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.359 -0.382 . . . . 7.62 110.612 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.919 HD12 ' HD3' ' A' ' 211' ' ' LYS . 20.5 mm -71.29 -31.22 43.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 C-N-CA 120.692 -0.403 . . . . 5.77 110.446 176.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.96 -31.58 63.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.075 0.464 . . . . 4.81 110.208 176.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 42.8 t -64.48 -48.4 75.36 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.608 -0.724 . . . . 4.31 110.905 176.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.514 ' CG2' HD22 ' A' ' 204' ' ' LEU . 28.6 m -71.42 -33.81 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.638 -0.425 . . . . 4.22 110.571 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 131' ' ' MET . 51.6 mt-10 -62.73 -41.73 99.32 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.28 -0.418 . . . . 4.32 111.885 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 125' ' ' SER . 15.3 ptmm? -69.79 -35.23 74.68 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.441 -0.504 . . . . 4.91 110.769 -177.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.683 ' HE2' HD23 ' A' ' 90' ' ' LEU . 10.5 mtmp? -72.74 -41.91 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 5.02 111.728 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 127' ' ' GLU . 0.5 OUTLIER -63.34 -25.88 68.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.527 -0.306 . . . . 3.16 111.343 -177.334 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' ' 127' ' ' GLU . 66.1 mtt -52.91 -46.12 67.89 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.923 -0.581 . . . . 3.96 111.442 -174.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -72.95 -50.87 20.88 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.93 -0.308 . . . . 1.99 110.52 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 133' ' ' LEU . 4.1 mm? -59.75 -47.47 85.56 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.308 0.485 . . . . 2.57 112.308 -174.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.53 ' HB3' ' HZ3' ' A' ' 134' ' ' LYS . 7.4 ttpm? -62.93 -50.28 71.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 4.02 110.418 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -54.69 -46.6 74.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.452 -0.794 . . . . 1.92 111.389 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' MET . . . . . 0.578 ' HE3' ' CB ' ' A' ' 82' ' ' GLU . 33.5 mtp -66.13 -45.07 82.35 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.773 0.286 . . . . 1.63 111.773 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.528 ' HE3' HG22 ' A' ' 192' ' ' ILE . 11.8 mmt -61.59 -48.08 82.57 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.119 0.485 . . . . 1.97 110.336 175.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.0 -43.92 91.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.686 -0.688 . . . . 3.84 110.862 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 90.7 m -58.77 -48.59 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 1.61 111.868 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.606 ' HA ' ' HB2' ' A' ' 143' ' ' ASP . 16.7 m -70.46 -32.02 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 120.68 -0.408 . . . . 1.79 111.656 -178.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 137' ' ' MET . 69.8 mt -65.98 -47.77 73.45 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.325 -0.55 . . . . 2.05 110.308 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -62.85 -29.02 70.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.32 0.581 . . . . 3.34 109.983 175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 140' ' ' VAL . 0.2 OUTLIER -61.28 -47.43 86.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.217 -0.901 . . . . 1.64 110.052 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.418 ' HG3' ' HE3' ' A' ' 182' ' ' MET . 87.9 tttt -58.07 -41.63 83.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.659 -0.7 . . . . 2.41 110.441 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -60.31 -40.03 89.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.968 -0.56 . . . . 0.97 110.768 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -70.74 -37.39 73.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 3.26 110.67 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 151' ' ' ILE . 80.2 mt -58.28 -52.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.239 -0.437 . . . . 1.32 110.262 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.2 -37.69 78.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.179 -0.464 . . . . 2.39 110.787 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.75 -47.16 87.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 2.47 110.519 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 18.6 m -68.92 -36.28 77.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 1.44 110.872 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 147' ' ' ILE . 79.3 mt -58.48 -51.08 75.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-O 120.67 0.271 . . . . 1.68 110.437 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.14 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 1.24 110.787 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.733 ' O ' ' HG2' ' A' ' 156' ' ' GLU . 99.1 m -65.54 -42.1 92.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.934 -0.576 . . . . 1.27 111.174 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.469 HD13 ' HE1' ' A' ' 47' ' ' MET . 17.7 tp -72.8 -28.14 62.4 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 121.798 -0.564 . . . . 1.97 109.988 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 158' ' ' LYS . 13.1 t70 -67.6 -35.27 78.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.62 -0.718 . . . . 0.78 110.472 177.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.733 ' HG2' ' O ' ' A' ' 153' ' ' THR . 10.4 pt-20 -75.09 -25.9 58.89 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.768 0.318 . . . . 2.52 110.249 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.446 ' HD2' ' O ' ' A' ' 153' ' ' THR . 12.3 m-85 -66.65 -44.71 81.19 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.335 -0.617 . . . . 1.28 109.335 169.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.493 ' HD3' ' HD2' ' A' ' 171' ' ' PHE . 24.6 ttpp -56.83 -37.41 71.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.014 -0.994 . . . . 2.51 110.22 176.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -60.56 -46.27 90.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 4.22 110.983 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -57.6 -50.11 74.2 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.278 -0.419 . . . . 3.38 111.022 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -77.01 97.71 4.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.995 0.426 . . . . 1.97 110.715 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 20.3 m -95.66 164.98 12.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.292 -0.413 . . . . 4.06 111.046 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 69.95 -155.37 53.19 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.923 -0.581 . . . . 3.39 112.374 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -101.75 33.27 6.63 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.987 -0.625 . . . . 3.62 111.541 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.1 p -76.49 -25.6 54.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.789 0.328 . . . . 3.61 111.123 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -143.79 -172.47 3.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.099 -0.5 . . . . 4.07 110.099 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.81 41.28 2.35 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.086 -0.578 . . . . 1.78 112.273 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 27.1 m -57.01 -51.55 68.79 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.395 0.678 . . . . 2.0 111.994 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -73.15 -33.89 65.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.827 0.346 . . . . 4.19 110.494 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' MET . . . . . 0.412 ' HE2' ' HB3' ' A' ' 170' ' ' MET . 13.7 tmm? -65.63 -41.37 92.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 1.53 110.502 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.493 ' HD2' ' HD3' ' A' ' 158' ' ' LYS . 40.9 t80 -67.91 -35.48 78.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.99 110.584 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 176' ' ' GLU . 30.1 tt0 -66.39 -43.71 85.1 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.707 -0.479 . . . . 2.38 109.707 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 177' ' ' LYS . 56.1 m-20 -56.82 -42.91 80.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.758 -0.655 . . . . 2.29 109.865 173.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -62.91 -45.28 93.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.553 -0.749 . . . . 4.06 111.388 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -55.4 -47.0 76.55 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.112 0.257 . . . . 1.78 110.993 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 172' ' ' GLU . 28.5 mt-10 -52.9 -50.63 63.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.496 0.665 . . . . 1.35 110.387 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 173' ' ' ASP . 40.4 mmtm -67.95 -36.36 79.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.912 -1.04 . . . . 2.5 110.986 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -64.82 -51.31 62.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.366 -0.379 . . . . 1.48 110.763 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.81 -31.07 72.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 2.23 110.801 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 88.1 tttt -70.48 -51.18 30.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.513 . . . . 3.56 110.37 178.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 25.6 m -63.6 -34.47 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.101 0.477 . . . . 1.74 110.434 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' MET . . . . . 0.418 ' HE3' ' HG3' ' A' ' 144' ' ' LYS . 24.4 ttt -65.62 -34.29 77.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 1.17 110.239 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -75.44 -30.0 59.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 1.26 110.532 177.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 180' ' ' LYS . 74.6 mmtt -69.18 -46.64 66.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 3.33 110.282 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.692 ' HB3' HG22 ' A' ' 73' ' ' THR . 74.9 mmtt -77.8 -11.0 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.137 -0.483 . . . . 2.71 110.727 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' ASP . . . . . 0.511 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 9.0 t70 -58.78 -34.15 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 1.16 111.573 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 184' ' ' LYS . 4.6 pp -62.93 -23.93 67.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.536 -0.302 . . . . 3.01 110.746 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' LYS . . . . . 0.433 ' O ' HG12 ' A' ' 192' ' ' ILE . 26.1 mtpp -73.58 -38.04 65.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.439 -0.346 . . . . 3.19 110.67 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.805 ' HA ' HG11 ' A' ' 76' ' ' VAL . 59.6 tp -64.37 -44.44 91.36 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.162 0.506 . . . . 1.95 110.024 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.08 -28.52 62.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.72 110.781 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . 0.47 ' O ' HD12 ' A' ' 195' ' ' LEU . 41.5 tt0 -65.9 -47.86 73.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.541 -0.299 . . . . 2.86 110.227 174.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' ILE . . . . . 0.886 HG13 HG13 ' A' ' 76' ' ' VAL . 31.0 mm -59.49 -38.21 74.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 1.6 111.128 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 196' ' ' LEU . 27.5 p -75.73 -31.05 59.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 2.11 110.754 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 197' ' ' ARG . 38.8 tt0 -63.89 -35.93 82.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.413 0.625 . . . . 3.84 109.885 171.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 191' ' ' GLU . 7.7 mp -72.93 -32.87 65.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 4.02 110.087 174.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.935 ' HA ' ' HB2' ' A' ' 199' ' ' GLU . 31.4 tp -56.9 -25.52 57.24 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.517 0.727 . . . . 3.89 110.704 174.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 200' ' ' ILE . 52.6 ttp180 -51.92 -32.81 34.47 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.536 -0.302 . . . . 6.49 111.166 171.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' ASP . . . . . 0.564 ' C ' ' H ' ' A' ' 200' ' ' ILE . 23.6 t70 -105.32 -31.98 8.81 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.727 0.775 . . . . 4.3 109.675 175.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.935 ' HB2' ' HA ' ' A' ' 196' ' ' LEU . 59.9 mt-10 -72.6 26.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 125.107 1.363 . . . . 5.29 111.097 170.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.564 ' H ' ' C ' ' A' ' 198' ' ' ASP . 0.1 OUTLIER -34.4 -20.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 128.053 2.541 . . . . 3.27 117.557 -166.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.47 ' HB2' ' HD3' ' A' ' 202' ' ' PRO . 7.4 mm-40 -31.96 -49.76 0.5 Allowed Pre-proline 0 N--CA 1.488 1.441 0 N-CA-C 115.743 1.757 . . . . 6.5 115.743 -160.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' A' ' 201' ' ' GLU . 77.6 Cg_exo -52.82 -14.45 3.47 Favored 'Trans proline' 0 C--N 1.363 1.297 0 C-N-CA 122.741 2.294 . . . . 7.52 114.261 174.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . 0.522 ' HG3' ' HG3' ' A' ' 206' ' ' LYS . 40.8 ttmt -64.67 -2.6 2.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.965 0.506 . . . . 7.15 111.086 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 204' ' ' LEU . 1.9 tm? -58.67 -34.49 71.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.827 -0.435 . . . . 6.12 109.827 172.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -53.92 -40.04 66.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.505 0.669 . . . . 9.31 109.689 174.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . 0.522 ' HG3' ' HG3' ' A' ' 203' ' ' LYS . 0.0 OUTLIER -73.58 -55.66 6.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.233 -0.894 . . . . 10.86 110.212 175.312 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.484 HD23 HG22 ' A' ' 126' ' ' VAL . 22.2 tp -56.72 -37.28 70.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.697 -1.138 . . . . 7.6 112.577 -172.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.23 -51.8 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 9.74 110.184 178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -71.29 -46.09 61.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.118 0.485 . . . . 13.37 110.849 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 214' ' ' PHE . 35.1 tt0 -61.51 -55.38 31.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.248 -0.887 . . . . 11.25 112.347 -172.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' LYS . . . . . 0.919 ' HD3' HD12 ' A' ' 123' ' ' ILE . 49.0 tttp -70.5 -45.19 66.11 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.306 -0.557 . . . . 10.09 110.933 -175.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 212' ' ' ARG . 17.1 mtp180 -61.57 -62.06 2.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.603 -0.271 . . . . 12.99 111.145 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.613 ' HA ' ' CD2' ' A' ' 217' ' ' PHE . . . -74.32 -59.36 2.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.147 0.425 . . . . 13.26 112.147 -173.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' A' ' 210' ' ' GLU . 55.0 t80 -68.04 -51.86 42.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.464 -0.335 . . . . 14.02 111.664 -172.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 211' ' ' LYS . 97.0 mt -79.64 -60.94 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.731 0.641 . . . . 11.97 112.731 -174.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' ASP . . . . . 0.563 ' HA ' ' HZ3' ' A' ' 114' ' ' LYS . 15.6 m-20 -79.73 -53.6 6.65 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.85 1.056 . . . . 12.73 113.85 -171.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 213' ' ' ALA . 22.2 m-30 -60.65 -54.72 41.89 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.918 0.39 . . . . 14.13 110.959 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -75.67 170.9 15.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.84 -0.618 . . . . 15.76 110.508 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . 0.47 ' HG3' ' HB2' ' A' ' 112' ' ' ARG . 27.0 tt0 -92.54 -106.67 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.876 -0.33 . . . . 15.78 110.274 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 75.4 p 46.65 42.76 11.88 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.227 0.537 . . . . 17.94 111.794 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . 0.497 ' HB2' ' HD2' ' A' ' 112' ' ' ARG . 82.8 mm-40 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.327 -0.844 . . . . 17.45 110.563 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.464 -0.215 0 CA-C-O 120.752 0.23 . . . . 1.71 112.147 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.4 mm -59.56 -37.46 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 2.27 109.774 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.692 ' HA ' HD11 ' A' ' 49' ' ' LEU . 96.1 mt -58.33 -42.28 86.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.788 -0.642 . . . . 2.13 110.351 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.79 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.989 -0.551 . . . . 1.02 111.115 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -65.58 -34.33 77.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.302 0.572 . . . . 2.23 110.036 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.569 ' O ' ' HG2' ' A' ' 22' ' ' MET . 73.0 t80 -69.84 -40.32 75.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.87 -0.605 . . . . 1.52 109.991 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 54.4 mm-40 -61.5 -46.15 91.22 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.947 -0.569 . . . . 2.43 111.729 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' MET . 11.0 pt-20 -64.02 -40.77 97.08 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.043 -0.263 . . . . 1.99 110.482 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -60.32 -40.47 90.69 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.424 -0.353 . . . . 1.14 110.887 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 28.1 mmt -64.67 -46.06 84.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.101 -0.5 . . . . 1.4 110.19 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -59.39 -41.45 89.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 3.34 110.598 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.676 ' HA ' ' HB3' ' A' ' 29' ' ' LYS . 85.4 mmm -61.56 -50.15 73.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.778 -0.647 . . . . 1.35 110.669 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.16 62.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.575 0.583 . . . . 1.17 112.575 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -66.04 -40.33 90.9 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.379 0.511 . . . . 1.45 112.379 -172.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 5.62 47.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.112 -0.495 . . . . 2.5 111.719 -173.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 59.74 25.49 14.5 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.552 0.691 . . . . 2.34 109.774 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.676 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 87.1 tttt -75.81 -24.72 55.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.021 -0.991 . . . . 3.29 110.026 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.595 ' HB ' ' HB3' ' A' ' 24' ' ' MET . 10.7 tt -71.07 101.69 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.31 -0.859 . . . . 0.81 110.946 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -68.37 165.36 18.9 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.989 -0.551 . . . . 2.15 110.227 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.56 66.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.709 0.633 . . . . 1.0 112.709 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.06 -33.21 70.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.552 . . . . 1.24 111.19 -177.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -110.9 16.37 21.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.699 -0.682 . . . . 1.45 111.346 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.509 ' HA ' HD11 ' A' ' 30' ' ' ILE . 96.1 p -71.86 -12.08 61.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.344 -0.984 . . . . 1.07 108.344 172.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -85.55 159.41 19.9 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 114.121 -1.4 . . . . 0.9 109.72 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 69.06 0.71 2.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.193 -0.912 . . . . 2.37 110.834 -171.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -107.83 101.29 10.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.208 -0.451 . . . . 1.61 109.893 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.21 118.46 19.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.99 0.424 . . . . 1.04 110.399 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.22 -17.5 62.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.895 -0.593 . . . . 1.62 110.726 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.465 HD11 HG12 ' A' ' 147' ' ' ILE . 48.6 mm -57.4 -28.98 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.456 -0.793 . . . . 1.81 111.232 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.06 -46.17 68.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.05 0.452 . . . . 2.45 110.624 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -83.86 -30.34 26.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.697 -0.683 . . . . 1.91 110.712 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' HA ' HD21 ' A' ' 50' ' ' LEU . 1.4 t80 -72.16 -46.52 56.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.595 -0.729 . . . . 2.0 110.518 -172.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -53.27 27.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.0 -0.545 . . . . 1.33 110.549 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -96.33 96.51 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.94 109.521 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.708 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . 66.9 mtt -67.78 85.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.82 -0.627 . . . . 1.99 111.125 -176.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -109.9 -70.75 0.79 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.49 -0.777 . . . . 3.73 110.291 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.692 HD11 ' HA ' ' A' ' 15' ' ' LEU . 10.0 tt -66.73 -44.1 82.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.513 -0.767 . . . . 2.19 111.251 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 44' ' ' PHE . 2.2 pp -85.8 0.53 52.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.14 0.422 . . . . 3.39 112.14 -174.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 47' ' ' MET . 39.2 ttpt -104.5 125.09 50.35 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.84 -0.43 . . . . 3.18 109.84 177.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -99.69 91.21 4.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.126 0.489 . . . . 2.55 110.019 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.73 -132.52 11.2 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.639 -0.71 . . . . 1.64 111.996 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -89.64 -4.61 57.71 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.061 0.458 . . . . 2.87 110.949 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.0 p -134.45 160.1 39.03 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.166 -0.47 . . . . 1.64 109.936 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 50' ' ' LEU . 11.2 p -108.86 128.94 64.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 122.049 0.928 . . . . 0.63 109.983 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 59' ' ' GLN . 51.0 t-20 -71.88 121.61 19.34 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 106.686 -1.598 . . . . 2.33 106.686 172.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.751 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 30.4 m-85 -66.36 3.51 0.92 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.117 0.485 . . . . 0.82 110.872 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 57' ' ' ASN . 57.9 tt0 -72.43 -49.21 35.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.684 -1.228 . . . . 1.65 107.684 172.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 43.7 mmtm -60.38 -46.92 88.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.38 -1.282 . . . . 2.25 109.716 173.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -59.8 -47.46 85.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.379 -0.828 . . . . 0.62 111.659 -177.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.729 ' HB3' ' HG2' ' A' ' 174' ' ' ARG . 51.6 m -66.44 -46.21 77.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.732 0.301 . . . . 1.13 111.063 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.84 -45.23 90.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.99 110.948 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 m -71.28 -38.38 71.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 1.36 111.103 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.4 -46.16 84.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.729 0.3 . . . . 1.52 110.445 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.46 -50.74 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.82 110.679 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.62 -33.62 86.68 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.956 -0.565 . . . . 0.56 112.241 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.63 -44.73 95.54 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 110.367 -0.235 . . . . 1.16 110.367 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.518 HG21 ' HB1' ' A' ' 178' ' ' ALA . 86.6 t -60.86 -37.56 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.007 0.432 . . . . 1.54 110.412 177.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -64.16 -51.51 63.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.803 -0.635 . . . . 2.91 111.108 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.8 tt -72.7 -35.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.719 0.295 . . . . 1.22 111.275 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.499 ' OH ' ' HB2' ' A' ' 144' ' ' LYS . 68.4 t80 -58.48 -47.44 84.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.068 0.461 . . . . 0.86 110.799 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.412 HG21 ' HD2' ' A' ' 185' ' ' LYS . 25.0 p -75.71 -25.46 56.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.059 -0.519 . . . . 0.65 111.425 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.1 m -70.62 -36.86 73.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.878 0.37 . . . . 1.3 110.057 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -65.22 -46.88 78.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 1.69 111.669 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.918 HG21 ' HG ' ' A' ' 189' ' ' LEU . 12.7 p -62.38 -35.01 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.279 0.561 . . . . 0.78 109.995 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.5 -37.37 83.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 1.87 110.374 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.1 m -65.87 -31.12 71.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 1.25 111.262 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.517 HG11 ' SD ' ' A' ' 137' ' ' MET . 13.7 t -62.25 -50.22 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.491 -0.559 . . . . 1.4 109.491 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.99 78.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.7 -0.682 . . . . 1.45 110.741 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.3 m -61.37 -48.3 81.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.046 0.451 . . . . 1.96 110.593 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 2.42 110.09 179.727 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.983 0.421 . . . . 4.42 110.646 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -67.23 -46.82 72.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.797 -0.638 . . . . 4.65 110.166 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.87 -50.23 71.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.659 -0.7 . . . . 3.16 110.512 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 67.1 mtt -61.78 -37.99 86.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.398 -0.819 . . . . 3.28 111.156 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 m -67.94 -34.57 76.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.673 -0.24 . . . . 1.58 110.773 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.03 -41.51 81.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.858 0.361 . . . . 1.83 110.496 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -61.37 -49.16 78.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.511 . . . . 3.67 110.047 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -61.97 -31.89 72.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.378 -0.828 . . . . 1.73 110.92 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 39.3 tpp -61.13 -53.21 59.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.188 -0.46 . . . . 1.05 110.072 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.517 ' SD ' HG11 ' A' ' 79' ' ' VAL . 87.1 mmm -65.58 -36.13 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.731 -0.668 . . . . 1.44 110.538 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.66 -39.64 81.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 3.44 110.199 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 68.6 m -65.83 -44.39 85.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.06 -0.518 . . . . 1.16 110.533 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.466 HG11 ' HB ' ' A' ' 76' ' ' VAL . 73.3 t -59.85 -46.25 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.017 0.437 . . . . 1.15 110.786 178.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 137' ' ' MET . 81.1 mt -65.65 -34.99 79.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 1.45 110.605 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.644 ' HG2' ' HE2' ' A' ' 146' ' ' LYS . 38.7 ttmt -61.3 -44.28 97.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.698 -0.683 . . . . 3.01 110.341 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASP . . . . . 0.549 ' O ' HG13 ' A' ' 147' ' ' ILE . 1.1 m-20 -58.57 -41.17 85.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.127 -0.488 . . . . 1.64 110.537 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.499 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 37.4 ttpt -56.13 -47.76 77.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 1.8 111.317 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.464 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 37.7 m80 -61.88 -37.95 86.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.138 0.494 . . . . 0.84 110.083 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.644 ' HE2' ' HG2' ' A' ' 142' ' ' LYS . 68.0 mttm -67.08 -37.4 83.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.695 -0.684 . . . . 2.66 111.176 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 143' ' ' ASP . 72.5 mt -59.98 -48.01 89.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.768 -0.456 . . . . 0.59 109.768 175.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.41 -44.96 85.02 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.47 -0.786 . . . . 2.39 111.056 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 46.4 mt-10 -60.32 -44.91 95.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.105 0.479 . . . . 2.47 110.887 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.5 m -70.51 -43.45 69.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.901 -0.59 . . . . 0.71 112.095 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 34.5 pt -63.28 -33.48 61.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.682 -0.407 . . . . 1.05 110.201 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.05 95.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.335 -0.393 . . . . 0.49 110.602 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 37.3 m -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.057 0.456 . . . . 0.54 110.684 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.402 HD13 ' HB1' ' A' ' 61' ' ' ALA . 70.7 mt -64.56 -33.28 75.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.028 -0.533 . . . . 1.37 110.726 177.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.89 -31.81 71.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.966 -0.561 . . . . 0.78 109.927 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.13 -43.84 90.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.955 -0.566 . . . . 2.52 110.219 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -59.34 -40.78 87.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.92 110.368 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.526 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 27.6 ttpp -70.29 -20.59 63.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.922 -0.581 . . . . 1.93 110.891 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -84.85 -38.71 19.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.976 0.417 . . . . 3.78 110.257 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.19 -42.6 55.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.074 -0.512 . . . . 2.94 111.16 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -80.95 134.17 35.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.908 0.385 . . . . 1.97 110.938 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 37.5 m -81.27 -27.39 35.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.066 -0.516 . . . . 3.67 110.705 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 128.16 43.1 0.24 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.685 -0.769 . . . . 3.19 112.101 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -78.05 -86.09 0.48 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.779 -0.724 . . . . 2.95 111.937 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 50.2 m -94.3 -27.85 15.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.978 0.418 . . . . 3.61 110.865 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.428 ' HB1' ' CD2' ' A' ' 58' ' ' PHE . . . -81.62 127.19 32.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.138 -0.483 . . . . 3.62 110.209 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -78.26 75.25 1.95 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.062 -0.59 . . . . 1.32 112.011 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.526 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 24.5 p -59.05 -44.39 91.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.967 0.413 . . . . 1.5 111.342 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -68.03 -41.28 82.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.942 -0.572 . . . . 3.65 110.573 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 60.9 ttp -63.22 -44.75 94.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 1.37 110.573 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.751 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 83.1 t80 -67.04 -34.67 78.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.9 111.158 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -54.55 -56.08 22.67 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.293 0.568 . . . . 2.38 110.176 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 177' ' ' LYS . 19.4 t70 -67.62 -31.71 71.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 2.29 111.277 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.729 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 4.7 tpt180 -74.54 -39.56 62.25 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.956 -0.298 . . . . 3.45 110.867 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 22.2 ttmt -59.55 -55.58 32.75 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.861 0.362 . . . . 1.22 110.091 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.56 -33.6 74.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.809 -0.632 . . . . 1.35 110.933 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 173' ' ' ASP . 0.1 OUTLIER -66.26 -45.22 81.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 2.03 109.952 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.518 ' HB1' HG21 ' A' ' 69' ' ' VAL . . . -68.77 -39.71 80.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.832 -0.622 . . . . 0.91 110.769 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 80.5 mt -67.18 -28.26 67.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 1.63 111.115 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -69.28 -43.72 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.757 -0.46 . . . . 3.14 109.757 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 32.2 m -65.54 -36.87 85.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.24 0.543 . . . . 1.29 110.134 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 25.2 ttt -63.99 -40.9 97.43 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.63 -0.714 . . . . 0.66 110.315 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -69.32 -35.27 75.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.71 111.116 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -58.27 -55.93 28.58 Favored 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 123.293 0.637 . . . . 2.83 111.025 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.412 ' HD2' HG21 ' A' ' 73' ' ' THR . 90.0 mttt -77.36 -11.03 59.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.049 -0.523 . . . . 2.06 111.236 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 18.2 t70 -61.25 -33.71 73.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.25 -0.432 . . . . 1.16 110.334 177.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.37 -37.82 87.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.79 -0.641 . . . . 2.35 110.242 176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 192' ' ' ILE . 84.8 tttt -73.67 -42.32 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 2.76 110.171 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.918 ' HG ' HG21 ' A' ' 76' ' ' VAL . 9.5 tt -61.54 -51.16 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.957 -0.565 . . . . 1.24 110.856 -178.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.18 -34.68 78.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.016 -0.273 . . . . 2.24 110.614 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 191' ' ' GLU . . . . . 0.517 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 7.3 tp10 -60.22 -51.7 68.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 2.86 110.219 177.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 188' ' ' LYS . 85.1 mt -56.32 -45.56 81.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.149 -0.478 . . . . 1.24 110.58 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 11.0 m -57.17 -47.75 80.44 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.05 -0.523 . . . . 1.75 110.943 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -67.44 -46.26 73.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.792 -0.64 . . . . 3.84 110.725 -176.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 83.2 mt -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.804 0.335 . . . . 3.54 110.739 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.475 0.655 . . . . 3.31 109.934 176.801 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.46 -0.471 0 N-CA-C 111.499 -0.231 . . . . 1.71 111.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.581 HG13 HD21 ' A' ' 49' ' ' LEU . 34.9 pt -68.49 -16.94 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.563 -0.289 . . . . 2.27 111.31 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -61.03 -44.76 96.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.917 0.389 . . . . 2.13 110.234 170.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . . . -74.84 -29.59 61.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.74 -0.663 . . . . 1.02 110.435 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 2.7 t-20 -66.6 -43.33 85.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.707 -0.679 . . . . 2.23 110.0 174.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -71.69 -42.1 67.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 1.52 111.434 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.667 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 11.4 pt-20 -64.72 -32.45 74.14 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.903 -0.319 . . . . 2.43 110.173 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 24' ' ' MET . 7.0 tp10 -61.94 -46.39 89.51 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.332 -0.618 . . . . 1.99 109.332 175.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 39.3 m0 -59.91 -47.08 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.723 -0.671 . . . . 1.14 111.002 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.525 ' HA ' ' HE2' ' A' ' 22' ' ' MET . 29.6 mmt -59.59 -41.9 91.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 1.4 110.804 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -66.38 -50.64 62.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 3.34 110.524 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.569 ' HB2' ' HZ ' ' A' ' 38' ' ' PHE . 79.2 mtp -63.04 -34.97 78.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 1.35 111.597 -178.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.4 -49.94 61.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.75 0.31 . . . . 1.17 111.156 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 p -71.42 -36.36 71.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.332 -0.394 . . . . 1.45 111.856 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.91 -5.54 57.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.945 0.403 . . . . 2.5 110.841 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 63.55 25.45 14.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.627 0.727 . . . . 2.34 110.414 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 24.3 tptm -74.62 -20.52 59.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.935 -1.029 . . . . 3.29 109.423 176.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 tt -65.64 92.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.739 0.78 . . . . 0.81 110.771 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -75.48 168.36 20.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 2.15 110.294 174.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.09 76.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.623 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.48 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.792 0.293 . . . . 1.24 111.792 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.7 p30 -104.68 14.22 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.155 0.428 . . . . 1.45 112.155 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.0 p -65.98 -27.31 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.134 -1.061 . . . . 1.07 108.134 170.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -75.28 140.56 43.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.738 -1.119 . . . . 0.9 109.261 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 68.25 11.82 8.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.068 -0.969 . . . . 2.37 111.164 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' HZ ' ' HB2' ' A' ' 24' ' ' MET . 1.8 t80 -91.82 7.2 42.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.135 0.493 . . . . 1.61 110.167 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.21 122.03 20.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.357 0.599 . . . . 1.04 112.336 -172.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.55 -17.02 62.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.355 -0.839 . . . . 1.62 110.514 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.711 HD11 ' HA ' ' A' ' 147' ' ' ILE . 7.3 tp -57.13 -30.19 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 115.569 -0.741 . . . . 1.81 112.311 -172.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.92 -35.5 81.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.56 0.695 . . . . 2.45 110.092 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -83.18 -27.94 29.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.03 -0.986 . . . . 1.91 110.485 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' HD2' HD12 ' A' ' 41' ' ' ILE . 19.5 m-30 -63.0 -34.55 77.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 2.0 110.737 173.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -75.79 -57.15 4.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 1.33 110.735 175.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -84.61 85.26 7.44 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.184 -0.673 . . . . 2.94 109.184 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.53 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 63.1 mtt -71.29 83.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.807 -0.633 . . . . 1.99 111.88 -171.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -110.6 -44.14 3.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.668 -0.696 . . . . 3.73 109.293 172.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.581 HD21 HG13 ' A' ' 14' ' ' ILE . 89.7 mt -90.15 -33.03 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 2.19 111.2 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 56' ' ' VAL . 53.2 tp -76.34 -36.15 58.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.314 0.578 . . . . 3.39 110.398 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CB ' ' HB3' ' A' ' 47' ' ' MET . 27.2 ttpp -97.92 123.7 42.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 3.18 110.164 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.02 96.9 8.8 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.842 -0.799 . . . . 2.55 108.842 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.0 -115.47 4.37 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.937 -0.649 . . . . 1.64 111.629 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -118.32 10.34 12.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.879 0.371 . . . . 2.87 110.864 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.1 t -138.55 144.86 40.07 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.882 -0.784 . . . . 1.64 108.882 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 50' ' ' LEU . 14.4 p -95.91 131.19 43.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.719 0.771 . . . . 0.63 110.487 -178.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.526 ' HB2' ' HE3' ' A' ' 60' ' ' LYS . 12.0 m120 -84.15 106.26 15.65 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.752 -1.113 . . . . 2.33 108.603 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.638 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 94.3 m-85 -66.4 -7.31 18.45 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.827 -0.624 . . . . 0.82 111.163 -174.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -72.26 -57.34 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.089 -0.708 . . . . 1.65 109.089 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.526 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 18.5 ptpt -65.43 -30.65 71.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.4 -0.818 . . . . 2.25 109.954 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -62.15 -40.18 95.1 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.237 -0.438 . . . . 0.62 110.593 175.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m -62.16 -44.41 96.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.13 110.759 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.63 -46.13 70.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.985 -0.552 . . . . 0.99 110.937 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.8 p -68.33 -36.83 79.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.133 -0.485 . . . . 1.36 111.617 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -47.27 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.793 -0.447 . . . . 1.52 109.793 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.87 -40.06 91.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.031 0.444 . . . . 0.82 110.952 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.29 -45.35 80.81 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.481 -0.866 . . . . 0.56 111.916 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.425 ' HA ' HG12 ' A' ' 71' ' ' ILE . 33.0 t -64.94 -38.43 90.93 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.305 0.113 . . . . 1.16 111.305 -177.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.19 -36.31 72.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 120.701 -0.399 . . . . 1.54 110.786 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -68.11 -46.17 71.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.754 0.311 . . . . 2.91 110.665 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 42.9 pt -70.99 -32.98 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.958 -0.297 . . . . 1.22 110.952 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.586 ' HA ' ' HD3' ' A' ' 75' ' ' ARG . 74.6 t80 -57.63 -49.8 75.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.153 0.501 . . . . 0.86 110.289 175.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.9 p -70.46 -25.61 63.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.929 -0.578 . . . . 0.65 110.684 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.1 t -67.53 -26.97 66.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.106 0.479 . . . . 1.3 109.921 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HD3' ' HA ' ' A' ' 72' ' ' TYR . 65.5 mtp180 -73.32 -32.72 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.55 -0.537 . . . . 1.69 109.55 174.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.654 HG12 HD12 ' A' ' 192' ' ' ILE . 62.3 t -66.96 -37.23 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.911 -0.586 . . . . 0.78 109.579 172.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.26 -31.95 73.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.16 -0.473 . . . . 1.87 110.188 171.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -67.19 -46.44 73.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.606 . . . . 1.25 111.088 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG21 ' HG2' ' A' ' 137' ' ' MET . 7.3 p -64.85 -33.91 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.596 -0.442 . . . . 1.4 110.43 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.16 -30.56 67.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.137 0.494 . . . . 1.45 110.621 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -65.45 -37.31 86.5 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.417 -0.586 . . . . 1.96 109.417 173.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.674 -0.693 . . . . 2.42 110.676 176.852 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.902 0.382 . . . . 4.42 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.61 -44.87 73.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.529 . . . . 4.65 110.156 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 32.1 tt0 -64.36 -39.14 93.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 3.16 110.538 178.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 65.5 mtt -60.48 -43.37 97.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.411 . . . . 3.28 110.932 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.2 t -61.52 -42.98 99.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.468 -0.567 . . . . 1.58 109.468 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.62 ' HA ' ' HE2' ' A' ' 136' ' ' MET . 1.6 tt -59.52 -43.54 93.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.564 -0.744 . . . . 1.83 109.896 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 66.7 mttm -56.69 -43.56 80.64 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 115.898 -0.592 . . . . 3.67 110.167 175.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -63.98 -45.48 88.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 1.73 110.909 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.62 ' HE2' ' HA ' ' A' ' 133' ' ' LEU . 0.9 OUTLIER -58.07 -49.9 75.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 1.05 110.777 177.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.49 ' HE3' ' HA ' ' A' ' 193' ' ' THR . 85.9 mtp -66.25 -39.28 89.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 1.44 111.39 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -58.21 -42.6 86.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 3.44 109.836 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 43.5 m -64.14 -38.08 89.78 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.356 -0.838 . . . . 1.16 110.971 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 136' ' ' MET . 71.8 t -55.61 -51.91 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 121.231 0.539 . . . . 1.15 110.866 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 64.8 mt -75.28 -26.81 59.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.087 -0.506 . . . . 1.45 111.504 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 146' ' ' LYS . 85.4 tttt -67.82 -41.69 82.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.319 -0.623 . . . . 3.01 109.319 174.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASP . . . . . 0.444 ' HB3' ' HE1' ' A' ' 72' ' ' TYR . 11.6 t70 -62.27 -38.05 87.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.228 -0.897 . . . . 1.64 109.833 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.533 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 61.1 tttp -55.15 -45.79 75.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.503 -0.771 . . . . 1.8 110.844 177.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -63.48 -34.05 76.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.84 110.504 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 142' ' ' LYS . 5.4 mptp? -66.29 -37.67 85.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 2.66 110.352 175.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.711 ' HA ' HD11 ' A' ' 41' ' ' ILE . 63.1 mt -63.85 -50.57 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.59 110.173 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.4 -46.53 69.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.836 -0.62 . . . . 2.39 110.254 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.13 -47.04 78.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.268 -0.878 . . . . 2.47 110.978 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 73.8 m -64.0 -38.89 92.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.71 111.504 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 147' ' ' ILE . 77.9 mt -56.41 -51.4 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 1.05 110.645 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.73 -30.03 69.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 0.49 111.476 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 49.5 m -73.74 -46.49 45.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.423 -0.353 . . . . 0.54 111.234 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.85 -32.11 73.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 1.37 110.572 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.654 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 13.5 t70 -65.29 -35.86 82.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.78 109.915 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.467 ' OE2' ' HD2' ' A' ' 159' ' ' ARG . 4.7 mm-40 -59.56 -46.91 87.53 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.318 -0.401 . . . . 2.52 110.962 174.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -58.38 -36.95 74.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.988 0.423 . . . . 0.92 110.456 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.574 ' HA ' HG22 ' A' ' 168' ' ' THR . 47.1 tttm -66.02 -41.08 91.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.661 -0.699 . . . . 1.93 110.793 177.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.654 ' HG3' ' O ' ' A' ' 155' ' ' ASP . 95.1 mtt180 -63.4 -49.73 72.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.959 -0.564 . . . . 3.78 111.08 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -71.36 -44.58 64.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.03 -0.532 . . . . 2.94 110.69 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . 61.39 162.07 0.07 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.676 0.75 . . . . 1.97 112.523 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 15.0 m -125.09 83.2 2.13 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.898 -0.592 . . . . 3.67 109.476 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 62.94 -133.52 43.48 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.465 -0.654 . . . . 3.19 111.465 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -86.42 75.69 2.21 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.185 -0.766 . . . . 2.95 111.185 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 15.8 m -74.55 -35.71 63.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.397 0.141 . . . . 3.61 110.873 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . 71.62 -50.29 0.69 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.68 0.792 . . . . 3.62 112.238 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.83 -13.36 46.66 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.46 -0.336 . . . . 1.32 112.887 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.574 HG22 ' HA ' ' A' ' 158' ' ' LYS . 8.0 p -61.22 -42.33 98.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.969 0.414 . . . . 1.5 110.722 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.568 . . . . 3.65 109.872 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' MET . . . . . 0.434 ' HE2' ' HB3' ' A' ' 170' ' ' MET . 43.3 ttp -61.02 -37.86 84.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.725 -0.671 . . . . 1.37 111.045 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.481 ' HD2' ' HD2' ' A' ' 158' ' ' LYS . 84.2 t80 -61.15 -31.43 71.16 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.9 111.097 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.553 ' HB2' ' HE3' ' A' ' 158' ' ' LYS . 9.4 tp10 -62.01 -49.32 76.51 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.88 -0.415 . . . . 2.38 109.88 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.535 ' O ' ' HB2' ' A' ' 177' ' ' LYS . 42.4 m-20 -71.85 -34.15 69.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.871 -0.604 . . . . 2.29 111.196 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -69.94 -43.21 72.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.593 -0.276 . . . . 3.45 110.778 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.431 ' O ' HD13 ' A' ' 179' ' ' LEU . 35.0 ttpt -57.33 -55.22 37.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.021 -0.536 . . . . 1.22 110.482 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.474 ' HB2' ' HE2' ' A' ' 180' ' ' LYS . 10.0 pt-20 -62.43 -39.27 92.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.94 -0.304 . . . . 1.35 110.793 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 173' ' ' ASP . 6.7 tppt? -60.39 -50.42 73.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.003 0.43 . . . . 2.03 110.165 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -67.8 -42.86 80.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.837 -0.619 . . . . 0.91 111.247 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 175' ' ' LYS . 8.5 mp -65.64 -45.95 81.07 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.051 0.389 . . . . 1.63 112.051 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' A' ' 176' ' ' GLU . 68.2 mttm -67.58 -34.43 77.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.678 0.275 . . . . 3.14 110.963 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.4 m -74.29 -37.05 63.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.132 0.491 . . . . 1.29 110.053 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.2 ttt -65.53 -37.8 87.79 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.994 -0.548 . . . . 0.66 110.297 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -59.7 -28.6 67.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.71 111.395 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -71.93 -42.83 66.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.976 0.417 . . . . 2.83 110.566 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -76.58 -23.77 53.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.099 0.476 . . . . 2.06 110.375 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.18 -29.98 69.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.637 -0.71 . . . . 1.16 110.025 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 89.0 mt -66.24 -38.68 88.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.123 0.487 . . . . 2.35 109.697 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 188' ' ' LYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 191' ' ' GLU . 77.0 tttt -67.21 -38.58 85.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.478 -0.783 . . . . 2.76 110.095 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.43 -51.8 67.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.695 -0.684 . . . . 1.24 109.44 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -61.63 -31.3 71.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.935 -0.575 . . . . 2.24 111.138 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 191' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 29.9 tt0 -60.48 -54.27 47.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.816 -0.439 . . . . 2.86 109.816 175.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 192' ' ' ILE . . . . . 0.654 HD12 HG12 ' A' ' 76' ' ' VAL . 62.1 mt -62.25 -42.48 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.717 -0.674 . . . . 1.24 111.132 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.49 ' HA ' ' HE3' ' A' ' 137' ' ' MET . 75.2 p -67.29 -41.04 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.823 -0.351 . . . . 1.75 111.245 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.86 -44.44 80.95 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.223 -0.444 . . . . 3.84 110.409 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 84.9 mt -66.45 -48.55 69.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.29 -0.414 . . . . 3.54 110.903 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 192' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 112.024 0.379 . . . . 3.31 112.024 -174.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 N--CA 1.463 -0.309 0 N-CA-C 111.491 -0.234 . . . . 1.71 111.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.53 -37.54 78.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.422 -0.354 . . . . 2.27 111.218 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 79.8 mt -57.15 -47.78 80.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 2.13 110.329 174.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.35 -34.59 74.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 1.02 110.78 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -59.41 -45.18 92.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.989 -0.55 . . . . 2.23 110.468 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -69.42 -40.21 77.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 1.52 110.825 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 49.7 mt-10 -62.9 -38.9 92.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 2.43 110.621 177.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 24' ' ' MET . 35.5 tt0 -65.6 -37.7 87.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.927 -0.579 . . . . 1.99 109.96 177.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -61.65 -40.05 93.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.931 -0.577 . . . . 1.14 110.673 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.5 mmt -63.18 -38.17 90.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 1.4 110.289 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -64.01 -43.9 94.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 3.34 110.177 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.482 ' HA ' ' HB2' ' A' ' 29' ' ' LYS . 95.4 mmm -60.07 -43.46 95.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 1.35 110.471 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.31 -55.53 10.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 1.17 112.107 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -65.31 -42.8 92.66 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.998 0.37 . . . . 1.45 111.998 -174.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.94 2.25 43.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.317 0.579 . . . . 2.5 110.378 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 59.82 31.32 20.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.3 -0.864 . . . . 2.34 111.38 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 24' ' ' MET . 14.4 mmmm -80.09 -16.3 55.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 3.29 110.288 177.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.428 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 10.4 tt -73.03 107.73 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-O 121.727 0.775 . . . . 0.81 109.964 176.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -102.11 -166.68 1.31 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.589 -0.732 . . . . 2.15 109.047 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.56 -51.27 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -172.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.66 -31.08 70.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.986 0.422 . . . . 1.24 111.763 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 30' ' ' ILE . 8.0 p30 -109.89 14.81 23.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.333 -0.394 . . . . 1.45 110.86 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.406 ' HA ' HD11 ' A' ' 30' ' ' ILE . 22.8 t -71.17 -23.48 62.06 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.131 -1.063 . . . . 1.07 108.131 170.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -87.19 156.92 19.48 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.768 -1.105 . . . . 0.9 109.723 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 70.88 1.65 3.86 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.554 0.741 . . . . 2.37 110.825 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' HB3' HD11 ' A' ' 71' ' ' ILE . 16.0 m-85 -111.07 90.33 3.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.082 -0.508 . . . . 1.61 110.195 175.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.61 118.82 25.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.482 . . . . 1.04 110.322 173.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.6 mt -73.13 -17.7 61.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.628 -0.715 . . . . 1.62 110.96 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.7 -37.65 54.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.5 -0.773 . . . . 1.81 111.778 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.0 -36.77 75.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 2.45 110.734 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.527 ' HD2' ' HG ' ' A' ' 49' ' ' LEU . 94.9 m-85 -83.91 -31.85 25.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.078 -0.51 . . . . 1.91 111.56 -178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.421 ' CD1' HG21 ' A' ' 150' ' ' THR . 24.4 m-85 -67.28 -42.03 84.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.702 -0.226 . . . . 2.0 111.587 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -75.88 -23.62 55.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.555 -0.293 . . . . 1.33 111.07 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.29 -52.91 9.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 2.94 109.989 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.2 mtt 69.35 -49.48 0.61 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.163 -0.926 . . . . 1.99 112.692 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.589 ' HA ' ' HB3' ' A' ' 51' ' ' LYS . 8.5 t -54.05 -23.95 15.48 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.261 0.624 . . . . 3.73 112.185 -172.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.527 ' HG ' ' HD2' ' A' ' 43' ' ' TYR . 2.8 tm? -48.75 -50.45 33.78 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.911 0.386 . . . . 2.19 110.201 173.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 49' ' ' LEU . 66.8 mt -121.41 26.06 9.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 3.39 110.911 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.589 ' HB3' ' HA ' ' A' ' 48' ' ' SER . 49.3 tttm -118.6 127.71 53.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.287 -0.415 . . . . 3.18 109.892 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -110.42 113.07 25.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.259 -0.428 . . . . 2.55 110.746 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.29 -106.45 2.1 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 121.054 -0.593 . . . . 1.64 112.399 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -119.72 -24.76 6.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.856 0.36 . . . . 2.87 110.7 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.0 t -94.15 170.61 9.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.099 0.476 . . . . 1.64 110.602 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.16 135.22 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.86 -0.609 . . . . 0.63 110.08 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -66.76 103.96 1.22 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.064 -0.516 . . . . 2.33 109.735 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.489 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 86.0 m-85 -70.04 -9.63 55.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.918 -0.583 . . . . 0.82 110.355 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.585 ' HA ' ' HE1' ' A' ' 170' ' ' MET . 17.4 tm0? -71.09 -58.88 3.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.764 -0.828 . . . . 1.65 108.764 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -68.68 -28.34 66.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.354 -0.839 . . . . 2.25 110.244 177.493 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -66.09 -47.06 75.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.62 111.31 -176.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.682 ' HB2' ' HG2' ' A' ' 174' ' ' ARG . 19.4 p -69.39 -35.95 76.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.005 0.431 . . . . 1.13 110.331 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.1 t -61.05 -50.81 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.656 -0.702 . . . . 0.99 110.334 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.0 p -66.66 -28.6 68.6 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.212 -0.449 . . . . 1.36 111.252 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.95 -44.39 76.88 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.767 -0.457 . . . . 1.52 109.767 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.39 -42.61 98.81 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.159 0.504 . . . . 0.82 110.351 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.23 -32.99 86.04 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.832 -0.699 . . . . 0.56 111.822 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.638 ' HA ' HG22 ' A' ' 71' ' ' ILE . 49.8 t -64.01 -38.01 89.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.623 0.249 . . . . 1.16 110.549 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.81 -39.9 85.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.29 0.566 . . . . 1.54 110.087 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -68.41 -50.98 48.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.792 -0.64 . . . . 2.91 110.924 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.657 HD11 ' HB3' ' A' ' 38' ' ' PHE . 15.2 tt -65.64 -33.72 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 1.22 110.845 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.501 ' HE1' ' O ' ' A' ' 140' ' ' VAL . 76.2 t80 -54.05 -54.72 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.86 110.352 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.897 HG21 ' HB3' ' A' ' 185' ' ' LYS . 25.4 p -75.69 -24.91 56.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.017 -0.538 . . . . 0.65 111.833 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -62.54 -40.27 96.28 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.659 -0.496 . . . . 1.3 109.659 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 79' ' ' VAL . 88.4 mtm180 -67.05 -41.13 87.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.953 -0.567 . . . . 1.69 110.322 176.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.643 HG12 HD12 ' A' ' 192' ' ' ILE . 90.8 t -57.62 -42.17 80.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.19 0.519 . . . . 0.78 110.404 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.87 -42.58 94.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.654 -0.703 . . . . 1.87 110.572 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.2 m -63.75 -31.43 72.6 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.87 -0.605 . . . . 1.25 110.985 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 75' ' ' ARG . 41.0 t -62.76 -41.62 93.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.248 -0.433 . . . . 1.4 109.99 175.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.7 -24.5 67.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.588 0.588 . . . . 1.45 112.588 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.4 m -74.01 -46.27 44.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.467 0.651 . . . . 1.96 109.634 171.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.827 ' HB3' HD21 ' A' ' 133' ' ' LEU . 1.8 tp10 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.212 -0.904 . . . . 2.42 111.399 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.922 0.392 . . . . 4.42 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -61.03 -27.99 68.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.032 -0.531 . . . . 4.65 111.91 -174.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.3 OUTLIER -56.08 -29.42 60.52 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.669 0.271 . . . . 3.16 111.355 -178.209 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.847 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 71.5 mtm -67.56 -40.38 84.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.838 0.351 . . . . 3.28 110.7 -178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -72.95 -31.01 64.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.134 0.492 . . . . 1.58 109.794 174.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.827 HD21 ' HB3' ' A' ' 82' ' ' GLU . 8.1 mt -62.65 -45.65 91.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.798 -0.637 . . . . 1.83 112.628 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.847 ' HE2' ' HA ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -59.82 -38.28 81.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.328 -0.619 . . . . 3.67 109.328 177.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.3 -45.47 84.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.658 -0.701 . . . . 1.73 110.524 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.666 ' HE2' ' HA ' ' A' ' 133' ' ' LEU . 73.1 mtm -66.96 -43.28 83.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.697 -0.229 . . . . 1.05 111.522 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.532 ' O ' HG22 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -60.65 -46.55 89.9 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.059 0.457 . . . . 1.44 110.491 175.626 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -66.63 -25.31 66.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 3.44 110.956 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.597 ' HA ' ' HE3' ' A' ' 142' ' ' LYS . 23.2 m -64.75 -48.08 75.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.447 -0.342 . . . . 1.16 111.052 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 137' ' ' MET . 18.3 m -64.67 -33.41 63.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.175 -0.61 . . . . 1.15 110.122 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 53.0 mt -74.19 -40.52 62.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.968 0.359 . . . . 1.45 111.968 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.597 ' HE3' ' HA ' ' A' ' 139' ' ' THR . 22.1 pttp -69.96 -39.91 75.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.013 -0.366 . . . . 3.01 110.013 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASP . . . . . 0.52 ' O ' HG13 ' A' ' 147' ' ' ILE . 1.4 m-20 -64.76 -32.41 74.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.973 -0.558 . . . . 1.64 110.145 176.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.563 ' HB3' ' O ' ' A' ' 141' ' ' LEU . 58.9 tttp -53.87 -53.15 56.57 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.064 -0.516 . . . . 1.8 110.289 173.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 149' ' ' GLU . 36.2 m80 -62.77 -41.13 99.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.741 -0.663 . . . . 0.84 110.293 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 74.1 mmtt -60.2 -41.82 93.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 2.66 111.557 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 143' ' ' ASP . 81.8 mt -62.59 -46.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.954 -0.387 . . . . 0.59 109.954 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -54.74 -44.84 73.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 2.39 110.649 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 145' ' ' HIS . 71.9 mm-40 -60.25 -42.75 95.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.903 -0.59 . . . . 2.47 110.859 177.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' THR . . . . . 0.421 HG21 ' CD1' ' A' ' 44' ' ' PHE . 33.1 m -63.57 -44.94 92.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.774 -0.648 . . . . 0.71 111.0 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 147' ' ' ILE . 69.8 mt -59.79 -41.92 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 1.05 110.618 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.92 -34.21 76.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.409 . . . . 0.49 111.264 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.723 ' O ' ' HG2' ' A' ' 156' ' ' GLU . 76.0 m -73.4 -45.0 57.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.54 111.25 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.444 HD23 ' CE1' ' A' ' 171' ' ' PHE . 15.8 tp -66.18 -28.11 68.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.551 0.691 . . . . 1.37 109.549 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.19 -38.6 78.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.21 -0.905 . . . . 0.78 111.463 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.723 ' HG2' ' O ' ' A' ' 153' ' ' THR . 9.5 pt-20 -70.93 -23.81 62.32 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.959 0.409 . . . . 2.52 110.283 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -69.68 -33.66 72.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.467 -0.333 . . . . 0.92 110.482 172.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.615 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 63.1 tttt -71.51 -21.74 61.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.54 0.686 . . . . 1.93 109.86 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.98 -48.86 27.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.649 -0.705 . . . . 3.78 110.555 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -75.1 -36.43 61.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.866 0.365 . . . . 2.94 110.869 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -109.89 98.3 7.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 1.97 109.836 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 7.1 p -64.87 -41.77 95.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.734 -0.666 . . . . 3.67 111.721 -175.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -129.13 -36.38 0.43 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.623 -0.799 . . . . 3.19 112.761 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 61.48 -114.38 6.65 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.931 -0.868 . . . . 2.95 110.931 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.5 t -110.56 -54.55 2.57 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.478 -0.934 . . . . 3.61 108.478 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -173.1 132.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.267 -0.879 . . . . 3.62 109.63 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 140.97 -30.37 2.27 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.231 -0.985 . . . . 1.32 112.891 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.615 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 39.2 p -64.34 -44.06 92.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 1.5 111.46 -176.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -72.38 -33.65 67.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.87 0.367 . . . . 3.65 110.527 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' MET . . . . . 0.585 ' HE1' ' HA ' ' A' ' 59' ' ' GLN . 13.9 tmm? -69.3 -33.3 72.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 1.37 110.27 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.444 ' CE1' HD23 ' A' ' 154' ' ' LEU . 44.5 t80 -58.25 -34.29 70.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.123 -0.49 . . . . 0.9 110.525 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.12 -44.41 79.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.07 0.462 . . . . 2.38 110.144 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.12 -35.54 81.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.352 -0.84 . . . . 2.29 110.4 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.682 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 20.6 tpp180 -75.44 -39.07 59.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.059 -0.519 . . . . 3.45 111.115 176.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -54.88 -50.82 67.78 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.002 0.189 . . . . 1.22 111.273 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -55.95 -38.81 70.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.406 -0.361 . . . . 1.35 111.181 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -80.01 -42.13 24.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.027 0.441 . . . . 2.03 110.862 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.05 75.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.927 -0.579 . . . . 0.91 110.784 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.471 HD11 HD13 ' A' ' 151' ' ' ILE . 10.9 mp -67.71 -32.98 74.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 1.63 110.856 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.0 -49.18 77.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.117 0.484 . . . . 3.14 110.23 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 25.6 m -69.62 -40.66 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.461 -0.79 . . . . 1.29 110.665 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 27.4 ttt -63.06 -35.48 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.66 110.839 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -63.6 -45.96 87.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.068 0.461 . . . . 0.71 110.703 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.497 ' HA ' HD12 ' A' ' 187' ' ' LEU . 13.6 mmmm -67.86 -37.59 82.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.846 -0.615 . . . . 2.83 110.926 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.897 ' HB3' HG21 ' A' ' 73' ' ' THR . 67.4 mmtt -70.75 -31.39 68.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.97 -0.559 . . . . 2.06 111.292 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.38 -36.39 81.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.135 0.493 . . . . 1.16 109.898 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 184' ' ' LYS . 81.6 mt -61.44 -34.31 75.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.746 -0.661 . . . . 2.35 110.297 174.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 188' ' ' LYS . 2.7 mmmp? -72.85 -33.73 66.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 2.76 110.296 177.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 21.0 tp -62.63 -46.7 87.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 1.24 109.94 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.42 -43.59 88.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 2.24 110.034 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.53 -44.43 85.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.781 -0.645 . . . . 2.86 110.806 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 192' ' ' ILE . . . . . 0.643 HD12 HG12 ' A' ' 76' ' ' VAL . 10.8 mt -58.8 -43.33 87.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 1.24 111.841 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.418 ' HA ' HD23 ' A' ' 196' ' ' LEU . 82.1 p -61.97 -46.06 90.93 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.002 0.43 . . . . 1.75 111.301 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.79 -32.59 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.122 -0.49 . . . . 3.84 110.736 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.0 tp -70.09 -49.68 48.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.908 -0.587 . . . . 3.54 110.667 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 193' ' ' THR . 1.7 pp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 3.31 110.306 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 N--CA 1.46 -0.464 0 CA-C-O 121.231 0.43 . . . . 1.71 112.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.6 mm -75.51 -16.69 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.449 0.642 . . . . 2.27 109.791 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.552 HD23 ' HG ' ' A' ' 49' ' ' LEU . 88.1 mt -52.81 -36.82 59.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.307 -0.86 . . . . 2.13 110.824 175.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.66 -33.95 73.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.921 -0.581 . . . . 1.02 111.285 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -70.37 -39.46 74.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.37 0.605 . . . . 2.23 109.967 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.539 ' HE1' HG21 ' A' ' 64' ' ' THR . 40.2 t80 -63.06 -49.69 73.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.22 -0.9 . . . . 1.52 111.095 -177.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.59 -26.87 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.475 -0.33 . . . . 2.43 111.021 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -60.3 -45.55 92.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.182 0.515 . . . . 1.99 109.849 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.53 ' HZ3' ' HE1' ' A' ' 43' ' ' TYR . 46.6 m0 -63.81 -37.46 87.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.601 -0.727 . . . . 1.14 110.781 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.584 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -70.34 -36.83 74.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 1.4 110.578 -178.226 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -62.82 -36.6 83.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.016 0.436 . . . . 3.34 110.045 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 68.1 mmm -68.63 -42.56 77.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.882 -0.599 . . . . 1.35 110.789 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.3 -36.78 74.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.768 0.655 . . . . 1.17 112.768 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.4 p -61.11 -50.75 71.99 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.046 0.758 . . . . 1.45 113.046 -171.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -96.8 6.63 48.3 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.088 -0.245 . . . . 2.5 110.823 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.0 m120 65.18 35.63 7.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.913 -0.585 . . . . 2.34 111.528 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.0 -16.99 60.6 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.529 0.681 . . . . 3.29 109.297 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 35' ' ' SER . 6.0 tt -62.83 103.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.023 -0.99 . . . . 0.81 110.677 177.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -70.68 157.01 38.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 2.15 109.858 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -64.24 -30.74 71.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.602 0.239 . . . . 1.0 111.297 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -38.14 72.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.153 0.502 . . . . 1.24 110.773 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.454 ' ND2' HG13 ' A' ' 30' ' ' ILE . 2.4 p-10 -110.34 14.39 22.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.865 -0.607 . . . . 1.45 110.921 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.502 ' HA ' HD11 ' A' ' 30' ' ' ILE . 32.8 t -67.81 -20.57 65.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.59 -0.892 . . . . 1.07 108.59 173.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -96.67 148.0 23.32 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.55 -1.205 . . . . 0.9 109.013 174.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 74.23 -0.5 3.33 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.213 1.005 . . . . 2.37 111.291 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.682 ' HB3' HD11 ' A' ' 71' ' ' ILE . 1.1 m-85 -88.7 82.72 6.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.046 -0.724 . . . . 1.61 109.046 169.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB2' HH22 ' A' ' 75' ' ' ARG . . . -123.82 116.73 23.45 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.92 -0.712 . . . . 1.04 111.769 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 44' ' ' PHE . 9.1 mp -74.72 -18.87 60.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.035 -0.984 . . . . 1.62 109.808 168.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.45 -38.89 58.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 114.63 -1.168 . . . . 1.81 112.749 -169.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.95 -33.4 64.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.073 0.463 . . . . 2.45 111.054 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.53 ' HE1' ' HZ3' ' A' ' 21' ' ' TRP . 82.7 m-85 -84.28 -29.35 26.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.811 -0.631 . . . . 1.91 111.356 -177.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' HB3' HG21 ' A' ' 150' ' ' THR . 67.1 m-85 -72.77 -42.04 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.107 0.48 . . . . 2.0 110.191 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -53.59 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.429 -0.805 . . . . 1.33 110.219 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -95.57 93.07 6.95 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.772 -0.825 . . . . 2.94 108.772 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.941 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . 63.3 mtt -71.13 89.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.355 -0.839 . . . . 1.99 111.673 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 m -126.47 -40.28 1.96 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.323 -0.853 . . . . 3.73 109.862 175.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.552 ' HG ' HD23 ' A' ' 15' ' ' LEU . 8.7 tt -83.88 -45.71 12.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 2.19 110.506 -178.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.5 mm? -81.56 -30.21 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 3.39 110.811 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 47' ' ' MET . 87.1 tttt -80.78 124.34 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.166 -0.47 . . . . 3.18 110.276 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -115.61 98.07 6.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.868 -0.605 . . . . 2.55 110.116 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.22 -127.23 8.47 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.852 -0.69 . . . . 1.64 112.378 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.05 -14.88 30.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.86 0.362 . . . . 2.87 110.997 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.4 m -136.19 -173.61 3.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.624 -0.509 . . . . 1.64 109.624 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 50' ' ' LEU . 7.6 p -125.95 131.97 71.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.272 0.558 . . . . 0.63 110.674 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -72.13 108.07 5.13 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.345 -0.843 . . . . 2.33 109.811 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.737 ' HZ ' ' HB3' ' A' ' 157' ' ' TYR . 72.3 m-85 -69.9 -6.85 35.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.481 -0.781 . . . . 0.82 111.423 -174.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.419 ' HA ' ' CE ' ' A' ' 170' ' ' MET . 0.6 OUTLIER -71.7 -58.52 3.41 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.981 -0.748 . . . . 1.65 108.981 -178.272 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -66.88 -32.44 73.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.946 -0.57 . . . . 2.25 110.654 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.518 ' HB1' HD21 ' A' ' 154' ' ' LEU . . . -62.49 -46.5 88.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.62 111.193 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.8 ' HB3' ' HD3' ' A' ' 174' ' ' ARG . 40.0 m -68.58 -36.48 78.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.354 . . . . 1.13 110.762 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 45.7 t -61.53 -49.2 77.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.007 -0.542 . . . . 0.99 110.483 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.539 HG21 ' HE1' ' A' ' 18' ' ' PHE . 18.1 p -74.66 -29.41 61.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.761 -0.654 . . . . 1.36 111.367 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.2 tm? -62.34 -41.98 99.01 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.422 -0.584 . . . . 1.52 109.422 176.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.75 -48.72 80.25 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.097 -0.501 . . . . 0.82 110.268 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.05 -32.35 81.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.56 111.969 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.655 ' HA ' HG22 ' A' ' 71' ' ' ILE . 41.9 t -68.22 -33.15 73.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.596 0.236 . . . . 1.16 110.898 179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 65' ' ' LEU . 88.4 t -65.77 -38.34 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.272 0.558 . . . . 1.54 109.858 175.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -67.91 -46.14 72.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.629 -0.714 . . . . 2.91 110.864 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.682 HD11 ' HB3' ' A' ' 38' ' ' PHE . 14.5 tt -68.8 -33.15 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 1.22 110.637 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 75' ' ' ARG . 81.5 t80 -57.08 -51.58 68.7 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.925 0.393 . . . . 0.86 110.728 176.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.2 p -71.01 -26.7 63.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.404 -0.362 . . . . 0.65 110.975 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 m -63.33 -33.11 74.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.902 0.382 . . . . 1.3 110.18 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.517 HH22 ' HB2' ' A' ' 39' ' ' ALA . 86.9 mtt180 -65.33 -42.46 92.92 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.02 -0.536 . . . . 1.69 110.151 174.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.866 HG12 HD12 ' A' ' 192' ' ' ILE . 23.1 t -58.45 -42.11 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.838 -0.619 . . . . 0.78 109.833 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -66.34 -32.15 73.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.782 -0.644 . . . . 1.87 110.855 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 t -66.44 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 1.25 110.12 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.07 -48.84 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.4 109.727 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.4 81.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 1.45 110.888 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.6 m -61.92 -40.14 94.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.23 0.538 . . . . 1.96 109.958 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 2.42 110.094 178.378 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.519 ' HA ' ' HE2' ' A' ' 131' ' ' MET . 47.4 mmtm . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.9 0.381 . . . . 4.42 110.604 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.439 ' O ' HD23 ' A' ' 133' ' ' LEU . 32.3 mmmt -61.87 -41.22 97.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 4.65 111.082 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -54.55 -45.58 73.48 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.863 0.363 . . . . 3.16 110.747 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 128' ' ' LYS . 64.1 mtm -60.79 -47.19 87.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.878 -0.601 . . . . 3.28 110.865 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 m -66.77 -36.1 81.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.425 -0.352 . . . . 1.58 111.074 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 129' ' ' LYS . 3.6 mm? -60.25 -48.47 81.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.41 . . . . 1.83 110.662 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -68.57 -38.67 80.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.078 -0.51 . . . . 3.67 110.575 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -60.43 -48.97 79.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.806 -0.634 . . . . 1.73 111.118 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.557 ' O ' HG23 ' A' ' 140' ' ' VAL . 61.4 mtm -60.13 -47.52 85.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.644 -0.253 . . . . 1.05 110.612 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 74.7 mmm -57.06 -43.68 82.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 1.44 111.066 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -69.25 -27.05 65.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.993 0.425 . . . . 3.44 110.451 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 39.6 m -73.31 -36.75 66.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.185 -0.461 . . . . 1.16 110.282 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 136' ' ' MET . 84.9 t -60.45 -51.88 67.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.946 -0.57 . . . . 1.15 110.741 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 8.5 mp -67.14 -29.5 69.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 1.45 111.604 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -61.72 -47.95 82.93 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.317 0.579 . . . . 3.01 110.015 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASP . . . . . 0.622 ' HA ' ' HD2' ' A' ' 146' ' ' LYS . 5.8 m-20 -70.46 -29.42 65.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 1.64 110.376 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 141' ' ' LEU . 53.4 tttm -55.83 -46.5 78.12 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.317 -0.401 . . . . 1.8 110.247 173.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.571 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 29.5 m170 -56.03 -46.14 78.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.894 -0.593 . . . . 0.84 109.785 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 143' ' ' ASP . 90.2 mttt -57.75 -43.84 85.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.627 -0.715 . . . . 2.66 111.072 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 143' ' ' ASP . 69.5 mt -58.9 -48.77 85.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.59 110.462 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.74 -29.23 69.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.763 -0.653 . . . . 2.39 111.036 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 43.5 mt-10 -63.3 -48.75 76.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.504 -0.554 . . . . 2.47 109.504 172.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' THR . . . . . 0.451 HG21 ' HB3' ' A' ' 44' ' ' PHE . 34.0 m -59.39 -44.26 92.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.233 -0.894 . . . . 0.71 110.835 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 147' ' ' ILE . 83.9 mt -56.31 -47.67 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.317 -0.401 . . . . 1.05 110.601 177.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.67 97.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.065 -0.516 . . . . 0.49 110.946 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 35.8 m -61.34 -44.21 97.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.228 -0.442 . . . . 0.54 111.02 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.518 HD21 ' HB1' ' A' ' 61' ' ' ALA . 8.3 mp -67.08 -39.5 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 1.37 111.043 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.453 ' HA ' ' HE2' ' A' ' 171' ' ' PHE . 21.5 t70 -61.38 -49.88 75.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.193 0.52 . . . . 0.78 110.655 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' A' ' 160' ' ' LYS . 35.1 mt-10 -70.2 -26.69 63.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.602 . . . . 2.52 110.824 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.737 ' HB3' ' HZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -61.59 -38.64 88.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.838 0.351 . . . . 0.92 110.122 176.357 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.472 ' HE3' ' HB ' ' A' ' 168' ' ' THR . 87.2 tttt -70.04 -35.24 74.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.545 . . . . 1.93 110.161 176.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -66.27 -38.25 87.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 3.78 109.95 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 5.1 mptp? -64.57 -45.79 85.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.842 -0.617 . . . . 2.94 110.177 173.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -54.55 114.63 1.75 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.496 -0.775 . . . . 1.97 111.362 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 8.3 m -107.64 2.26 23.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.802 -0.635 . . . . 3.67 110.345 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -158.98 86.73 0.12 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.951 -0.642 . . . . 3.19 112.155 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 178.67 114.37 0.41 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.037 -0.601 . . . . 2.95 111.642 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 9.5 m -104.21 -32.69 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.041 0.448 . . . . 3.61 110.803 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -70.68 111.73 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 3.62 111.362 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 100.27 -38.7 3.01 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.017 -0.611 . . . . 1.32 112.538 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.472 ' HB ' ' HE3' ' A' ' 158' ' ' LYS . 33.7 p -65.43 -43.08 91.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.772 0.32 . . . . 1.5 111.673 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 169' ' ' ARG . 5.1 ptp180 -69.06 -41.43 77.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.509 -0.314 . . . . 3.65 110.826 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 59' ' ' GLN . 13.6 tmm? -63.35 -43.07 98.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.37 109.932 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.624 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 48.8 t80 -56.12 -43.77 78.5 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.601 -0.727 . . . . 0.9 112.071 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.83 -46.74 70.96 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.818 -0.353 . . . . 2.38 111.135 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -67.9 -34.47 76.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 2.29 110.871 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.8 ' HD3' ' HB3' ' A' ' 62' ' ' SER . 67.4 ttt180 -75.85 -30.04 58.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.741 0.305 . . . . 3.45 110.892 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.32 -49.02 78.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 1.22 110.711 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 180' ' ' LYS . 10.5 pt-20 -61.14 -33.75 73.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.4 -0.364 . . . . 1.35 110.434 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -69.85 -43.8 71.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.27 -0.423 . . . . 2.03 110.362 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.17 81.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.91 111.156 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 151' ' ' ILE . 11.2 mp -67.54 -31.38 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 1.63 110.776 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 176' ' ' GLU . 21.6 ttmm -66.67 -40.46 88.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.257 0.551 . . . . 3.14 109.811 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 51.9 m -70.59 -41.26 72.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 1.29 110.307 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.5 ttt -61.65 -32.88 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.609 -0.723 . . . . 0.66 110.805 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.69 84.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.71 110.997 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.412 ' NZ ' ' HG2' ' A' ' 180' ' ' LYS . 61.9 mttp -71.18 -45.28 63.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 2.83 110.475 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -70.17 -19.6 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.001 -0.545 . . . . 2.06 111.062 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.16 -33.54 76.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.174 0.511 . . . . 1.16 109.993 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.76 -37.31 79.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 2.35 109.703 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 188' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 191' ' ' GLU . 26.0 tptp -65.6 -40.0 92.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.51 -0.768 . . . . 2.76 109.742 176.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.585 ' HA ' HG11 ' A' ' 76' ' ' VAL . 24.4 tp -59.86 -50.78 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.576 -0.738 . . . . 1.24 110.386 174.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -59.71 -33.47 71.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 2.24 111.267 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 191' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 188' ' ' LYS . 33.5 tt0 -57.11 -53.86 53.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 2.86 110.876 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 192' ' ' ILE . . . . . 0.866 HD12 HG12 ' A' ' 76' ' ' VAL . 63.5 mt -68.58 -38.62 79.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 1.24 110.977 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 11.8 m -59.13 -46.29 88.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.008 0.433 . . . . 1.75 110.57 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.33 -41.89 93.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.789 -0.642 . . . . 3.84 110.197 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 48.2 tp -55.81 -52.58 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.668 -0.696 . . . . 3.54 110.647 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 133' ' ' LEU . 60.2 tp . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 3.31 111.136 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo . . . . . 0 N--CA 1.459 -0.551 0 CA-C-O 121.161 0.4 . . . . 1.71 111.543 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.31 -37.82 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.726 -0.67 . . . . 2.27 110.124 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 16' ' ' ALA . 1.4 pp -64.81 -25.33 67.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.69 -0.686 . . . . 2.13 111.564 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.513 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -78.73 -42.52 28.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 1.02 110.327 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -62.85 -41.01 99.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 2.23 110.087 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.468 ' O ' ' HG2' ' A' ' 22' ' ' MET . 44.6 t80 -57.9 -39.8 78.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.463 -0.79 . . . . 1.52 111.067 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 7.8 mm-40 -60.82 -42.27 97.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 2.43 111.297 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -58.49 -47.26 84.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.015 -0.539 . . . . 1.99 109.789 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -61.09 -44.01 98.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.299 -0.864 . . . . 1.14 111.049 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 26.9 mmt -64.44 -50.26 68.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 1.4 111.465 -176.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -65.33 -39.32 92.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.901 0.382 . . . . 3.34 110.179 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.821 ' HA ' ' HB3' ' A' ' 29' ' ' LYS . 42.0 ttm -60.15 -45.05 94.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.515 . . . . 1.35 110.856 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.26 -51.55 36.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.349 -0.387 . . . . 1.17 111.655 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.3 p -66.57 -44.92 80.99 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.434 0.531 . . . . 1.45 112.434 -173.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.57 1.82 24.56 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.318 0.58 . . . . 2.5 110.739 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 65.4 21.4 11.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.65 -0.705 . . . . 2.34 110.129 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.821 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 81.2 tttt -63.85 -31.97 73.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.993 -1.003 . . . . 3.29 110.191 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.766 ' HB ' ' HG2' ' A' ' 24' ' ' MET . 4.2 tt -60.56 100.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.687 0.756 . . . . 0.81 111.439 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 29.5 m-80 -75.01 157.37 35.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.731 -0.84 . . . . 2.15 108.731 174.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.1 77.34 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 111.619 0.229 . . . . 1.0 111.619 -174.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.81 -33.89 73.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.979 0.418 . . . . 1.24 111.131 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' A' ' 30' ' ' ILE . 2.1 p-10 -110.48 14.28 22.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 1.45 111.062 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.527 ' HA ' HD11 ' A' ' 30' ' ' ILE . 21.8 t -70.61 -21.74 62.62 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.644 -1.243 . . . . 1.07 107.644 171.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.416 ' CH2' ' HB ' ' A' ' 79' ' ' VAL . 62.9 m95 -79.18 152.54 30.62 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 114.306 -1.315 . . . . 0.9 109.824 175.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 90.0 m-20 69.94 1.35 3.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.018 -0.992 . . . . 2.37 111.698 -175.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.824 ' HB3' HD11 ' A' ' 71' ' ' ILE . 10.6 m-85 -106.35 96.94 6.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.018 0.437 . . . . 1.61 111.073 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.96 121.54 19.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.062 -0.517 . . . . 1.04 109.981 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD23 HG21 ' A' ' 71' ' ' ILE . 4.0 mm? -69.47 -16.55 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.375 -0.375 . . . . 1.62 111.853 -175.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 1.065 HG21 ' HB3' ' A' ' 146' ' ' LYS . 40.8 mm -57.03 -29.82 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 1.81 111.217 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.67 -35.61 72.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.921 0.391 . . . . 2.45 110.342 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -75.28 -32.05 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 1.91 110.512 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.727 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 58.6 m-85 -68.98 -41.13 78.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.004 -0.544 . . . . 2.0 111.118 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -75.8 -23.58 55.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.175 0.512 . . . . 1.33 110.31 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.64 -60.65 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.53 -0.759 . . . . 2.94 110.913 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.662 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 57.3 mtt 59.2 28.69 18.08 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.711 0.634 . . . . 1.99 112.711 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -97.38 -34.05 11.19 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.699 -0.852 . . . . 3.73 108.699 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 tp -89.28 -45.93 9.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.319 -0.855 . . . . 2.19 110.921 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.68 -34.49 52.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.42 . . . . 3.39 111.383 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.8 ttpt -99.54 131.91 45.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.747 -0.464 . . . . 3.18 109.747 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -113.28 106.1 14.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.308 0.575 . . . . 2.55 109.919 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.83 -107.54 3.15 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.524 -0.762 . . . . 1.64 111.973 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -121.06 0.84 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.07 0.462 . . . . 2.87 110.552 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -125.16 135.11 52.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.746 -0.465 . . . . 1.64 109.746 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 12.0 p -95.57 131.56 42.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.319 0.58 . . . . 0.63 109.859 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.562 ' OD1' ' HB3' ' A' ' 59' ' ' GLN . 28.7 t-20 -77.34 101.93 6.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.43 -0.805 . . . . 2.33 109.246 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.718 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 88.8 m-85 -67.51 -9.65 44.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.535 -0.757 . . . . 0.82 111.204 -175.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.562 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 53.6 tt0 -71.43 -56.14 6.53 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.839 -0.8 . . . . 1.65 108.839 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -70.77 -28.06 64.39 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.023 -0.989 . . . . 2.25 109.79 177.361 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -65.36 -38.07 88.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 0.62 110.547 175.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.4 m -62.37 -44.35 96.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.869 0.366 . . . . 1.13 110.375 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.8 t -61.0 -44.14 97.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.99 110.513 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.1 m -68.25 -41.47 81.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 1.36 111.042 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 69' ' ' VAL . 52.6 tp -66.18 -43.65 86.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.52 110.77 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.04 -47.72 84.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.148 -0.478 . . . . 0.82 110.412 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.59 -33.21 83.83 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.56 111.954 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.553 ' HA ' HG22 ' A' ' 71' ' ' ILE . 49.6 t -63.61 -42.2 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.432 0.158 . . . . 1.16 110.746 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 65' ' ' LEU . 84.5 t -60.76 -41.92 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.064 0.459 . . . . 1.54 110.082 177.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.42 -47.61 72.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 2.91 111.388 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.824 HD11 ' HB3' ' A' ' 38' ' ' PHE . 18.2 tt -71.25 -34.26 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.753 0.311 . . . . 1.22 111.1 -176.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.472 ' OH ' ' HB2' ' A' ' 144' ' ' LYS . 71.3 t80 -59.74 -46.38 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.044 0.45 . . . . 0.86 110.415 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.45 HG21 ' HD2' ' A' ' 185' ' ' LYS . 6.5 p -75.37 -25.32 57.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.721 -0.672 . . . . 0.65 111.598 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.0 m -64.79 -34.99 79.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.136 0.493 . . . . 1.3 109.848 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 71' ' ' ILE . 65.4 mtp180 -65.51 -42.38 92.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.817 -0.629 . . . . 1.69 109.533 174.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.631 HG22 HG11 ' A' ' 140' ' ' VAL . 62.0 t -57.86 -41.3 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.352 -0.84 . . . . 0.78 110.457 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.1 -31.96 71.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.984 -0.553 . . . . 1.87 110.452 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.8 t -66.37 -48.94 68.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.08 -0.509 . . . . 1.25 111.12 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.416 ' HB ' ' CH2' ' A' ' 36' ' ' TRP . 5.6 p -67.44 -34.05 66.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 1.4 110.834 -178.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HB2' ' CD1' ' A' ' 192' ' ' ILE . . . -63.63 -44.96 92.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 1.45 110.797 176.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 m -61.66 -40.62 95.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 1.96 109.989 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.511 -0.768 . . . . 2.42 110.214 177.921 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.788 0.328 . . . . 4.42 110.273 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -71.51 -27.3 63.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 4.65 111.287 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -71.41 -32.18 68.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.485 -0.325 . . . . 3.16 111.44 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 88.4 mmm -55.95 -38.89 70.95 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.221 0.452 . . . . 3.28 112.221 -176.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.6 p -64.33 -40.85 96.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.106 0.479 . . . . 1.58 110.408 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.2 -51.2 70.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.668 -0.696 . . . . 1.83 110.975 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -62.59 -39.96 95.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.083 -0.508 . . . . 3.67 110.168 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -61.73 -43.77 98.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 1.73 110.797 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.478 ' O ' HG23 ' A' ' 140' ' ' VAL . 73.9 mtm -65.99 -39.68 90.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.76 -0.2 . . . . 1.05 110.693 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 82.7 mmm -59.54 -44.87 93.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.01 0.433 . . . . 1.44 110.528 174.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -63.95 -34.98 79.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.627 . . . . 3.44 110.464 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 52.7 m -65.9 -44.27 85.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.732 -0.667 . . . . 1.16 110.446 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.631 HG11 HG22 ' A' ' 76' ' ' VAL . 79.6 t -57.04 -47.9 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 1.15 110.75 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.509 HD21 HD21 ' A' ' 189' ' ' LEU . 54.3 mt -67.56 -33.45 75.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.281 -0.418 . . . . 1.45 110.702 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.729 ' HG2' ' HE3' ' A' ' 146' ' ' LYS . 40.6 ttmt -60.57 -45.9 92.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 3.01 109.901 175.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASP . . . . . 0.901 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 63.6 m-20 -66.76 -28.43 68.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 1.64 111.428 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.472 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 39.9 ttmt -61.46 -36.7 81.15 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.562 -0.533 . . . . 1.8 109.562 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.468 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 35.4 m80 -63.97 -36.78 85.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.84 110.418 175.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 1.065 ' HB3' HG21 ' A' ' 41' ' ' ILE . 1.4 mptm? -62.24 -35.84 80.16 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.986 0.422 . . . . 2.66 110.46 174.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.53 HG12 HD11 ' A' ' 41' ' ' ILE . 69.8 mt -63.02 -43.06 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.59 110.554 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.95 -43.91 98.02 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.308 -0.405 . . . . 2.39 110.458 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 38.2 mt-10 -58.61 -39.11 79.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 121.252 0.548 . . . . 2.47 110.104 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 44' ' ' PHE . 61.3 m -68.17 -52.83 30.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.411 -0.813 . . . . 0.71 111.352 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 147' ' ' ILE . 51.0 mm -58.9 -42.95 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.403 . . . . 1.05 110.382 -178.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 156' ' ' GLU . . . -59.71 -53.52 57.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.758 -0.655 . . . . 0.49 110.888 177.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 56.7 m -61.8 -43.75 98.22 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.489 -0.323 . . . . 0.54 111.6 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 7.9 mp -62.94 -36.9 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 1.37 111.023 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.531 ' HA ' ' HD3' ' A' ' 158' ' ' LYS . 18.2 t70 -74.7 -25.12 58.93 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.826 -0.349 . . . . 0.78 110.367 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 152' ' ' ALA . 24.6 mm-40 -68.82 -31.15 69.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 2.52 110.402 175.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.407 ' HB2' ' HZ ' ' A' ' 58' ' ' PHE . 22.0 m-85 -63.3 -40.09 96.38 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.675 -0.491 . . . . 0.92 109.675 172.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.664 ' HD2' ' HD2' ' A' ' 171' ' ' PHE . 8.1 mtpm? -64.36 -35.19 80.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.685 -0.689 . . . . 1.93 110.106 174.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -65.64 -49.63 67.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.274 -0.876 . . . . 3.78 110.928 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -75.75 -34.74 60.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 2.94 111.35 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.559 ' O ' HG21 ' A' ' 168' ' ' THR . . . -129.24 99.12 5.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.454 -0.339 . . . . 1.97 110.896 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 5.4 p -86.46 -61.72 1.68 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.017 0.436 . . . . 3.67 110.535 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -78.39 118.9 5.02 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.91 -0.662 . . . . 3.19 111.779 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 173.38 -173.36 45.7 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.757 -0.735 . . . . 2.95 111.998 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 43.1 m -106.11 11.52 31.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.828 0.346 . . . . 3.61 110.934 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 3.62 111.015 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 103.7 28.77 5.84 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.972 -0.633 . . . . 1.32 111.569 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.559 HG21 ' O ' ' A' ' 161' ' ' ALA . 18.9 p -56.36 -49.64 73.82 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.906 0.483 . . . . 1.5 112.274 -176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -71.85 -31.33 66.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.146 0.498 . . . . 3.65 110.745 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 47.2 ttp -71.04 -34.66 71.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.062 -0.517 . . . . 1.37 110.024 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.665 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 83.4 t80 -67.53 -27.92 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.9 110.6 176.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.13 -46.6 80.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.075 0.464 . . . . 2.38 110.035 176.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.3 -39.15 89.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 2.29 110.501 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -69.68 -37.78 76.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.73 -0.668 . . . . 3.45 110.596 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -55.76 -54.95 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 1.22 111.04 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.37 -37.3 85.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 1.35 111.671 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.83 -41.69 71.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 2.03 110.989 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -66.66 -49.67 65.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.91 111.175 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.83 -31.75 72.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.64 -0.254 . . . . 1.63 111.065 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -69.5 -45.71 68.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.477 -0.329 . . . . 3.14 110.896 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 181' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 7.2 t -73.31 -28.9 62.35 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.072 0.463 . . . . 1.29 109.955 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 25.3 ttt -65.47 -47.98 74.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.042 -0.526 . . . . 0.66 110.124 175.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -66.6 -29.94 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.045 -0.525 . . . . 0.71 111.701 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 181' ' ' THR . 6.6 pttp -72.76 -44.55 61.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.458 0.647 . . . . 2.83 109.795 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 188' ' ' LYS . 20.4 ttmm -78.24 -8.47 58.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.361 -0.836 . . . . 2.06 110.519 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 27.4 t70 -69.44 -27.71 65.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.43 -0.804 . . . . 1.16 110.752 177.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 91.8 mt -53.04 -45.79 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 2.35 111.635 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 188' ' ' LYS . . . . . 0.537 ' O ' HG13 ' A' ' 192' ' ' ILE . 21.9 ptmt -68.9 -28.92 67.12 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 121.036 -0.265 . . . . 2.76 110.751 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.509 HD21 HD21 ' A' ' 141' ' ' LEU . 7.1 tt -65.61 -50.26 65.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.402 -0.592 . . . . 1.24 109.402 177.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -71.66 -19.24 62.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.719 -0.673 . . . . 2.24 110.724 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 191' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 5.9 tp10 -65.81 -45.5 82.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.139 -0.689 . . . . 2.86 109.139 174.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 192' ' ' ILE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 80' ' ' ALA . 58.8 mt -59.3 -51.31 74.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.608 -0.724 . . . . 1.24 110.971 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 24.6 p -58.97 -37.97 78.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.931 0.396 . . . . 1.75 110.851 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.01 -52.55 34.36 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.899 -0.591 . . . . 3.84 110.497 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 74.0 mt -61.72 -43.15 99.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.499 -0.319 . . . . 3.54 111.457 -176.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 51.3 tp . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 120.864 0.364 . . . . 3.31 110.537 -179.671 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 32.1 Cg_exo . . . . . 0 N--CA 1.465 -0.204 0 CA-C-O 121.138 0.391 . . . . 1.71 111.699 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 43' ' ' TYR . 21.6 mt -65.05 -37.65 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.663 -0.699 . . . . 2.27 111.256 -176.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 80.4 mt -61.45 -47.3 86.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.888 0.375 . . . . 2.13 110.151 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' ' 13' ' ' PRO . . . -66.94 -43.21 83.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.9 -0.591 . . . . 1.02 111.115 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -61.2 -40.12 92.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 2.23 110.909 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' O ' ' HG2' ' A' ' 22' ' ' MET . 83.7 t80 -65.39 -48.33 73.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.055 -0.52 . . . . 1.52 110.449 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 44.7 mt-10 -60.79 -36.87 80.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.276 -0.42 . . . . 2.43 110.748 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.74 -47.35 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 1.99 110.367 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.502 ' CE2' ' HB2' ' A' ' 38' ' ' PHE . 45.0 m0 -65.43 -38.91 91.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.028 -0.533 . . . . 1.14 111.016 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 28.9 mmt -61.15 -43.48 98.82 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.82 -0.437 . . . . 1.4 109.82 177.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.745 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.21 -39.28 89.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.645 -0.707 . . . . 3.34 110.235 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 80.0 mmm -58.38 -44.19 88.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.541 . . . . 1.35 110.806 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.64 72.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 1.17 111.733 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 p -71.99 -36.86 69.9 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.801 0.297 . . . . 1.45 111.801 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.89 -11.41 59.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.64 0.257 . . . . 2.5 110.524 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.1 t30 60.66 40.3 16.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.934 0.874 . . . . 2.34 109.903 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -83.56 -4.42 58.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.494 -0.776 . . . . 3.29 109.931 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.554 ' CD1' HG13 ' A' ' 71' ' ' ILE . 2.8 tt -78.22 83.63 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.917 0.865 . . . . 0.81 110.442 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.522 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 21.2 m120 -73.23 160.04 32.53 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.643 -0.873 . . . . 2.15 108.643 172.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.54 -14.05 62.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.107 0.41 . . . . 1.0 112.107 -173.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.35 -34.47 55.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.011 0.434 . . . . 1.24 110.604 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.522 ' ND2' ' HB2' ' A' ' 31' ' ' ASN . 11.7 p30 -111.83 13.18 20.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 1.45 111.714 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.45 ' HA ' HG13 ' A' ' 30' ' ' ILE . 6.5 p -72.06 -20.99 61.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.566 0.698 . . . . 1.07 109.23 174.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.473 ' CZ2' ' HB2' ' A' ' 78' ' ' SER . 19.2 m95 -78.49 177.38 8.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.983 -1.008 . . . . 0.9 109.242 171.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.1 0.4 1.25 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.874 1.064 . . . . 2.37 113.874 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.502 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 5.0 p90 -150.11 132.88 15.96 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.682 -0.636 . . . . 1.61 110.314 166.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.617 ' HB1' HG22 ' A' ' 41' ' ' ILE . . . -133.78 123.26 24.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.832 -0.622 . . . . 1.04 110.808 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 mt -69.31 -23.24 63.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.253 -0.431 . . . . 1.62 110.567 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.617 HG22 ' HB1' ' A' ' 39' ' ' ALA . 10.0 tp -59.27 -29.15 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.662 -0.699 . . . . 1.81 111.395 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.74 -42.51 93.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 2.45 110.637 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 14' ' ' ILE . 94.6 m-85 -84.43 -28.14 27.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.917 -0.583 . . . . 1.91 111.168 177.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CE2' ' HB ' ' A' ' 150' ' ' THR . 21.5 t80 -67.64 -32.23 72.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.866 -0.606 . . . . 2.0 109.849 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -64.52 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.76 -0.655 . . . . 1.33 111.741 -177.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -103.04 116.69 33.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.809 0.814 . . . . 2.94 109.56 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.563 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 67.9 mtm -90.25 81.01 6.13 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.615 -0.721 . . . . 1.99 111.16 -173.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 t -93.09 -28.92 16.05 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.44 -0.578 . . . . 3.73 109.44 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.42 HD12 HG22 ' A' ' 14' ' ' ILE . 10.5 tt -89.75 -45.41 9.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 2.19 111.688 -175.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.39 -3.67 43.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 3.39 111.875 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HB3' ' O ' ' A' ' 47' ' ' MET . 29.0 ttpp -109.64 132.67 53.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.998 -0.371 . . . . 3.18 109.998 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -107.63 106.62 17.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.332 -0.618 . . . . 2.55 109.332 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.44 -105.75 1.73 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.567 -0.825 . . . . 1.64 111.676 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -121.44 15.09 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.865 0.364 . . . . 2.87 110.423 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 m -130.96 130.62 43.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.07 -0.514 . . . . 1.64 109.646 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 1.6 p -95.05 132.6 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-O 120.896 0.379 . . . . 0.63 110.345 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -63.43 102.37 0.41 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.344 -0.984 . . . . 2.33 108.344 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.851 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 71.7 m-85 -67.66 -8.35 34.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.791 0.329 . . . . 0.82 111.606 -174.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.39 -46.31 64.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.478 -0.934 . . . . 1.65 108.478 171.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -76.11 -33.98 59.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.095 -0.957 . . . . 2.25 110.186 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.716 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -55.9 -44.42 78.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.187 0.517 . . . . 0.62 110.616 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.672 ' HB3' ' HG2' ' A' ' 174' ' ' ARG . 45.6 m -68.92 -44.37 73.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 1.13 111.122 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 84.8 m -66.5 -37.25 84.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.475 -0.33 . . . . 0.99 111.751 -177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -70.12 -43.6 70.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.788 -0.187 . . . . 1.36 110.838 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.0 -46.45 90.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.019 0.438 . . . . 1.52 110.309 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.42 -40.02 92.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.564 -0.744 . . . . 0.82 110.744 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.55 -39.54 86.71 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.92 -0.657 . . . . 0.56 112.198 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' HA ' HG22 ' A' ' 71' ' ' ILE . 86.3 m -63.59 -42.31 98.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.588 0.218 . . . . 1.16 111.588 -178.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.75 -36.63 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.359 -0.537 . . . . 1.54 110.568 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.67 -50.81 63.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.467 -0.333 . . . . 2.91 111.393 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 30' ' ' ILE . 12.6 tt -68.35 -34.21 64.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.683 -0.235 . . . . 1.22 110.709 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 144' ' ' LYS . 87.3 t80 -55.35 -56.46 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.86 110.625 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.585 HG21 ' HB2' ' A' ' 185' ' ' LYS . 17.5 p -70.62 -25.79 63.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.302 -0.408 . . . . 0.65 111.613 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.1 t -63.44 -40.16 96.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.537 0.684 . . . . 1.3 109.342 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 79' ' ' VAL . 40.3 mtp180 -67.9 -30.34 69.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.407 -0.815 . . . . 1.69 109.972 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 72' ' ' TYR . 97.8 t -66.45 -37.11 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.273 -0.421 . . . . 0.78 110.485 175.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.23 -38.27 76.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.148 0.499 . . . . 1.87 109.915 174.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.473 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 7.8 m -62.27 -47.93 82.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.679 -0.691 . . . . 1.25 110.536 173.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 75' ' ' ARG . 3.5 t -62.43 -25.09 36.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-N 115.902 -0.59 . . . . 1.4 110.944 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HA ' HG13 ' A' ' 192' ' ' ILE . . . -57.53 -36.86 72.14 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.678 0.275 . . . . 1.45 111.368 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -76.53 -41.48 46.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.124 0.964 . . . . 1.96 109.672 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.7 ' HB3' HD11 ' A' ' 133' ' ' LEU . 7.5 mm-40 . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 114.192 -1.367 . . . . 2.42 111.886 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.234 0.54 . . . . 4.42 111.909 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -62.05 -27.99 69.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.381 -0.827 . . . . 4.65 112.837 -171.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.14 -36.76 66.13 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.907 0.706 . . . . 3.16 112.907 -171.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.47 -26.35 68.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.737 0.643 . . . . 3.28 112.737 -171.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -63.52 -33.55 75.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.166 0.508 . . . . 1.58 109.756 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.7 HD11 ' HB3' ' A' ' 82' ' ' GLU . 2.0 mm? -69.51 -33.4 72.77 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 113.434 0.901 . . . . 1.83 113.434 -174.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.21 -45.28 79.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.559 0.695 . . . . 3.67 109.195 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -68.72 -47.72 65.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.918 -1.037 . . . . 1.73 111.224 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.452 ' O ' ' HB ' ' A' ' 139' ' ' THR . 38.2 ttp -70.11 -38.21 75.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.335 0.494 . . . . 1.05 112.335 -172.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -43.39 88.51 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.181 -0.674 . . . . 1.44 109.181 176.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.59 -34.94 73.38 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.624 -0.51 . . . . 3.44 109.624 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 143' ' ' ASP . 91.5 m -61.77 -46.76 88.2 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 115.885 -0.598 . . . . 1.16 110.567 174.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 136' ' ' MET . 63.1 t -63.59 -49.51 82.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.55 -0.296 . . . . 1.15 111.597 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.74 -44.99 95.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.959 0.409 . . . . 1.45 110.797 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.424 ' HG3' ' HD3' ' A' ' 146' ' ' LYS . 22.9 tptm -66.75 -28.51 68.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.026 -0.534 . . . . 3.01 110.138 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 139' ' ' THR . 0.8 OUTLIER -62.69 -41.27 99.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.82 -0.627 . . . . 1.64 109.813 178.687 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 87.0 tttt -60.38 -44.38 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.46 -0.791 . . . . 1.8 110.112 176.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -66.42 -33.02 74.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.84 110.495 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.424 ' HD3' ' HG3' ' A' ' 142' ' ' LYS . 4.5 mptp? -65.61 -41.87 92.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.897 -0.592 . . . . 2.66 110.599 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.542 ' O ' HG13 ' A' ' 151' ' ' ILE . 72.5 mt -58.3 -44.18 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.59 109.756 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 144' ' ' LYS . 35.7 mt-10 -61.48 -32.31 72.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.851 -0.613 . . . . 2.39 111.545 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.94 -52.37 65.3 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.069 0.462 . . . . 2.47 110.221 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' THR . . . . . 0.487 ' HB ' ' CE2' ' A' ' 44' ' ' PHE . 61.8 m -66.24 -37.83 86.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.84 -0.618 . . . . 0.71 111.321 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 147' ' ' ILE . 80.9 mt -55.44 -45.5 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.843 0.354 . . . . 1.05 110.203 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.5 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.815 -0.63 . . . . 0.49 110.764 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 156' ' ' GLU . 55.5 m -60.1 -41.03 91.68 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.241 -0.436 . . . . 0.54 111.523 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.556 HD11 ' SD ' ' A' ' 47' ' ' MET . 4.8 mp -65.22 -42.0 93.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.699 0.285 . . . . 1.37 111.343 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -68.53 -30.71 69.57 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.574 -0.528 . . . . 0.78 109.574 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 153' ' ' THR . 5.5 mm-40 -59.61 -43.93 93.59 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.744 -0.662 . . . . 2.52 110.731 174.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.473 ' HB3' ' HZ ' ' A' ' 58' ' ' PHE . 63.2 m-85 -58.47 -44.69 89.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.047 0.451 . . . . 0.92 110.338 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.615 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 28.0 ttpp -67.01 -27.48 67.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 1.93 111.471 -177.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -87.88 -37.35 16.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.887 0.375 . . . . 3.78 110.807 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 14.2 mptt -67.55 -46.71 71.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.156 -0.475 . . . . 2.94 110.749 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.18 122.44 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.001 0.429 . . . . 1.97 110.74 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 19.5 m -75.36 -37.49 60.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 3.67 111.26 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -99.25 -46.31 2.04 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.863 -0.684 . . . . 3.19 112.037 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 70.43 63.19 3.33 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.033 -0.603 . . . . 2.95 112.885 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 25.7 t -81.35 -7.03 59.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.895 0.379 . . . . 3.61 110.769 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -84.65 5.34 28.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.486 -0.324 . . . . 3.62 111.698 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 94.92 39.21 4.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.663 -0.78 . . . . 1.32 112.589 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.615 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 9.3 p -62.49 -40.98 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.784 0.325 . . . . 1.5 111.557 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -64.86 -44.06 90.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 3.65 110.787 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -62.11 -47.49 84.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.931 -0.577 . . . . 1.37 109.965 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.851 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 71.0 t80 -60.75 -40.49 92.62 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.9 111.08 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.606 ' HB2' ' HD2' ' A' ' 158' ' ' LYS . 36.5 tt0 -61.25 -43.88 98.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.809 0.338 . . . . 2.38 110.801 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.56 -35.3 78.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.932 -0.577 . . . . 2.29 110.622 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.672 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 8.3 tpt180 -75.07 -39.99 60.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.356 -0.384 . . . . 3.45 110.819 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.566 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 32.9 ttpt -57.71 -53.86 53.43 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.406 -0.361 . . . . 1.22 111.062 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 6.7 pt-20 -53.14 -44.37 67.69 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.306 -0.407 . . . . 1.35 111.167 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -74.63 -35.19 62.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.664 0.269 . . . . 2.03 111.195 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.19 97.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.444 -0.344 . . . . 0.91 110.349 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 83.4 mt -65.01 -40.94 95.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.543 . . . . 1.63 110.23 177.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 176' ' ' GLU . 66.7 mttm -61.42 -47.57 85.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 3.14 110.516 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' THR . . . . . 0.532 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 49.9 m -60.83 -44.1 97.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 1.29 110.746 177.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.4 ttt -60.9 -40.27 92.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.66 110.67 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.99 76.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.71 111.305 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 180' ' ' LYS . 8.5 mtpm? -68.39 -48.2 65.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.966 0.412 . . . . 2.83 110.72 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.585 ' HB2' HG21 ' A' ' 73' ' ' THR . 13.9 ptpt -77.7 -7.49 56.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.349 -0.387 . . . . 2.06 111.702 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -66.19 -33.14 75.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.37 -0.377 . . . . 1.16 110.951 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 4.7 pp -65.15 -23.49 67.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 2.35 111.043 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -65.51 -44.53 86.69 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.722 -0.473 . . . . 2.76 109.722 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.94 -44.22 94.49 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.785 -0.643 . . . . 1.24 109.912 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.55 -41.73 81.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.508 -0.769 . . . . 2.24 110.587 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.94 -40.95 97.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.033 -0.531 . . . . 2.86 111.264 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 192' ' ' ILE . . . . . 0.568 HG13 ' HA ' ' A' ' 80' ' ' ALA . 1.7 mp -56.99 -51.85 63.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.844 0.354 . . . . 1.24 110.359 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 196' ' ' LEU . 16.3 p -70.55 -29.29 65.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 1.75 111.536 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.25 -53.05 62.34 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.345 -0.388 . . . . 3.84 110.809 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.57 -36.75 74.44 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.912 -0.586 . . . . 3.54 110.627 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 193' ' ' THR . 51.0 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.232 -0.894 . . . . 3.31 111.561 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo . . . . . 0 C--O 1.235 0.348 0 CA-C-O 120.606 0.169 . . . . 1.71 111.767 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -63.21 -26.13 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.307 -0.406 . . . . 2.27 110.479 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.89 -44.89 67.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.469 -0.332 . . . . 2.13 111.012 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.32 -24.7 59.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 1.02 111.134 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -81.92 -42.76 19.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.066 -0.515 . . . . 2.23 110.143 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -66.54 -38.84 88.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 1.52 111.12 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.09 -27.91 69.09 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.872 0.368 . . . . 2.43 110.718 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.81 -36.91 76.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.514 -0.55 . . . . 1.99 109.514 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.422 ' HZ3' ' O ' ' A' ' 39' ' ' ALA . 21.7 m0 -66.23 -38.58 88.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.638 -0.71 . . . . 1.14 110.307 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -45.0 94.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.15 -0.477 . . . . 1.4 110.248 175.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.72 -45.01 95.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 3.34 110.143 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.673 ' HG3' ' HB ' ' A' ' 30' ' ' ILE . 41.6 tpp -56.17 -46.34 79.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.549 -0.75 . . . . 1.35 110.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD12 ' A' ' 71' ' ' ILE . . . -69.5 -48.43 60.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.005 -0.543 . . . . 1.17 112.01 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 p -69.81 -38.64 76.67 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.215 0.45 . . . . 1.45 112.215 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' OD1' ' HB2' ' A' ' 29' ' ' LYS . 37.0 t70 -76.18 -10.29 59.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 2.5 110.257 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.7 m120 61.61 27.67 17.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.551 -0.75 . . . . 2.34 109.802 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HB2' ' OD1' ' A' ' 27' ' ' ASP . 87.2 tttt -77.94 -8.8 58.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.987 -1.006 . . . . 3.29 109.971 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.673 ' HB ' ' HG3' ' A' ' 24' ' ' MET . 7.4 tt -70.79 85.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.832 0.825 . . . . 0.81 111.048 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.568 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 20.0 m120 -61.55 154.19 25.49 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.23 -0.896 . . . . 2.15 109.191 174.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.686 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -60.07 -34.15 73.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -175.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.14 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 1.24 111.146 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.568 ' ND2' ' HB2' ' A' ' 31' ' ' ASN . 10.6 p30 -110.42 15.97 21.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.98 -0.555 . . . . 1.45 110.202 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.686 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.1 t -70.78 -20.92 62.55 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.938 -1.134 . . . . 1.07 107.938 174.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.461 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 52.8 m95 -96.29 163.04 13.25 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.931 -1.486 . . . . 0.9 109.591 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 46.3 m-80 71.75 1.2 3.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.603 0.761 . . . . 2.37 111.309 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -110.27 105.79 14.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.391 -0.368 . . . . 1.61 110.749 175.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -123.34 116.07 22.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.706 -0.479 . . . . 1.04 109.706 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 68' ' ' CYS . 10.2 mt -75.54 -44.53 43.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.153 0.501 . . . . 1.62 111.769 -177.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.588 ' HA ' ' HB3' ' A' ' 44' ' ' PHE . 10.5 mm -66.74 -27.13 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.724 . . . . 1.81 111.389 -167.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -52.69 -45.0 66.64 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.043 0.449 . . . . 2.45 110.387 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -84.56 -31.69 24.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 1.91 110.767 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CE2' HG21 ' A' ' 150' ' ' THR . 40.9 t80 -66.41 -33.5 75.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 2.0 110.635 -177.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.483 ' NE2' ' HB3' ' A' ' 149' ' ' GLU . 0.2 OUTLIER -68.03 -44.47 76.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 1.33 111.883 -177.143 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 47' ' ' MET . 20.6 t70 -60.99 -28.96 69.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 2.94 111.045 -175.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.729 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 32.5 mtt 76.88 -41.19 0.39 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.357 0.873 . . . . 1.99 113.357 174.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -47.86 -37.65 14.39 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.738 0.644 . . . . 3.73 112.738 -173.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.7 tp -80.01 -33.17 39.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.333 0.494 . . . . 2.19 112.333 -170.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.1 tp -120.02 -19.87 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.382 0.512 . . . . 3.39 112.382 -169.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.729 ' HD3' ' HA ' ' A' ' 47' ' ' MET . 13.8 mptt -83.57 -179.87 7.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.954 0.407 . . . . 3.18 111.43 -175.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -96.71 78.44 2.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.773 -0.649 . . . . 2.55 109.946 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.56 -105.18 1.07 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.801 -0.714 . . . . 1.64 112.0 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.1 0.66 38.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.678 0.275 . . . . 2.87 111.06 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 8.5 t -134.27 -167.26 1.93 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.964 -0.384 . . . . 1.64 109.964 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.662 ' HB ' ' HG3' ' A' ' 51' ' ' LYS . 7.2 p -153.34 129.75 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-O 121.566 0.698 . . . . 0.63 110.552 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.445 ' C ' ' H ' ' A' ' 59' ' ' GLN . 49.7 t-20 -84.31 120.31 26.1 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 106.556 -1.646 . . . . 2.33 106.556 168.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.739 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 70.0 m-85 -67.57 4.7 0.98 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.651 -0.704 . . . . 0.82 111.104 -174.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 57' ' ' ASN . 29.5 tt0 -73.72 -59.61 2.64 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.343 0.592 . . . . 1.65 109.509 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -72.8 -26.92 61.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.309 -0.86 . . . . 2.25 110.095 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.739 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -62.97 -46.59 87.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.791 -0.641 . . . . 0.62 110.633 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.635 ' HB2' ' HD1' ' A' ' 171' ' ' PHE . 35.5 t -68.28 -40.39 81.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.406 -0.361 . . . . 1.13 110.656 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.3 t -55.81 -49.16 73.99 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.238 0.542 . . . . 0.99 110.564 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -73.22 -30.59 63.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.807 -0.633 . . . . 1.36 110.565 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.655 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 50.8 tp -63.01 -46.41 87.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.475 -0.329 . . . . 1.52 110.261 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.82 -45.6 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.287 0.565 . . . . 0.82 109.942 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.88 -42.25 86.41 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.402 -0.817 . . . . 0.56 113.133 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.655 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 31.3 p -69.22 -38.33 78.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.073 0.437 . . . . 1.16 111.838 -174.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.73 -36.04 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.554 -0.458 . . . . 1.54 109.931 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -67.42 -49.54 63.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 2.91 111.318 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.596 HD12 ' HB2' ' A' ' 25' ' ' ALA . 10.1 tt -67.17 -38.62 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.681 0.277 . . . . 1.22 111.591 -176.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -65.93 -39.38 90.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.674 0.273 . . . . 0.86 110.469 -178.403 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.444 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 12.6 p -76.17 -25.75 55.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.604 -0.271 . . . . 0.65 110.964 176.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 t -62.52 -34.18 76.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.41 -0.589 . . . . 1.3 109.41 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.557 ' NH2' ' HA ' ' A' ' 140' ' ' VAL . 58.9 mtm180 -68.33 -36.72 79.69 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.887 -0.597 . . . . 1.69 109.907 175.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.532 HG22 HD13 ' A' ' 189' ' ' LEU . 99.2 t -56.95 -44.25 82.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.178 0.513 . . . . 0.78 109.732 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.29 -27.49 69.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.741 -0.663 . . . . 1.87 111.013 176.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 m -67.69 -33.82 75.67 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.774 0.321 . . . . 1.25 110.574 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG11 ' CE ' ' A' ' 137' ' ' MET . 21.9 t -65.94 -40.4 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.253 -0.647 . . . . 1.4 109.253 173.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.35 -26.67 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.552 -0.749 . . . . 1.45 110.645 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.5 m -67.15 -32.12 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 1.96 109.982 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 2.42 109.998 174.859 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.14 0.495 . . . . 4.42 111.231 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -70.75 -23.72 62.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 4.65 112.396 -176.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.59 -25.47 26.52 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.25 0.463 . . . . 3.16 112.25 -175.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 24.1 mmt -54.72 -27.97 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.526 0.565 . . . . 3.28 112.526 -175.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.9 m -64.01 -37.82 88.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.979 0.419 . . . . 1.58 110.419 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.516 HD22 ' CE ' ' A' ' 136' ' ' MET . 0.2 OUTLIER -67.18 -42.59 84.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.835 -0.802 . . . . 1.83 108.835 177.739 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -60.42 -38.7 84.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.623 -0.717 . . . . 3.67 110.336 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -61.26 -45.41 94.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.05 -0.523 . . . . 1.73 110.737 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.516 ' CE ' HD22 ' A' ' 133' ' ' LEU . 59.2 mtm -68.97 -38.43 79.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 1.05 110.708 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.439 ' CE ' HG11 ' A' ' 79' ' ' VAL . 19.8 mmt -62.6 -38.44 90.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.103 0.478 . . . . 1.44 110.049 174.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -60.73 -38.15 84.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.5 -0.773 . . . . 3.44 110.26 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 28.1 m -62.15 -47.7 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 1.16 110.185 175.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.557 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 85.1 t -59.05 -50.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.779 -0.646 . . . . 1.15 111.038 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.89 -38.39 90.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.891 -0.595 . . . . 1.45 111.779 -176.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -59.4 -51.88 68.0 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.244 -0.182 . . . . 3.01 110.864 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASP . . . . . 0.612 ' O ' HG13 ' A' ' 147' ' ' ILE . 5.1 m-20 -59.99 -44.32 94.6 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.998 -0.371 . . . . 1.64 109.998 177.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -53.75 -53.57 50.35 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.3 0.375 . . . . 1.8 111.386 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -62.88 -42.31 99.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.84 110.584 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -65.93 -31.28 72.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.556 . . . . 2.66 111.182 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.612 HG13 ' O ' ' A' ' 143' ' ' ASP . 74.5 mt -60.83 -50.73 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 110.394 -0.225 . . . . 0.59 110.394 176.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -55.62 -44.28 76.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.224 0.535 . . . . 2.39 110.376 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.483 ' HB3' ' NE2' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -61.05 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.344 -0.843 . . . . 2.47 110.357 178.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 150' ' ' THR . . . . . 0.63 HG21 ' CE2' ' A' ' 44' ' ' PHE . 53.8 m -66.69 -49.32 66.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.522 . . . . 0.71 111.347 -178.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.429 HD13 HD21 ' A' ' 179' ' ' LEU . 71.8 mt -59.41 -42.74 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.387 . . . . 1.05 110.449 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.43 95.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.315 -0.402 . . . . 0.49 110.906 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 41.5 m -64.69 -51.01 64.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.54 111.076 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.24 -33.08 74.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 1.37 110.83 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 20.0 t70 -62.0 -45.32 94.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.071 -0.513 . . . . 0.78 110.585 175.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.439 ' O ' ' HD3' ' A' ' 160' ' ' LYS . 49.1 mt-10 -69.7 -29.71 67.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 2.52 110.772 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -66.25 -30.67 71.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.928 0.394 . . . . 0.92 110.285 174.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 158' ' ' LYS . 9.3 mtpm? -73.19 -25.1 60.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 1.93 110.389 175.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 155' ' ' ASP . 77.6 mtt180 -73.14 -38.91 66.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 3.78 109.819 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 5.7 mptp? -66.79 -52.92 38.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.982 -0.554 . . . . 2.94 110.049 173.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -107.83 85.53 2.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 1.97 110.428 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 36.1 m -91.06 2.64 56.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.029 -0.532 . . . . 3.67 110.624 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -95.12 -151.94 28.84 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.892 -0.671 . . . . 3.19 112.215 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -103.05 40.22 2.51 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.918 -0.658 . . . . 2.95 112.603 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 26.6 t -66.59 -33.23 75.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.224 0.535 . . . . 3.61 110.052 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -146.68 -174.56 4.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 3.62 109.398 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.83 61.04 2.54 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.615 -0.803 . . . . 1.32 112.056 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 6.2 p -67.33 -50.01 61.77 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.164 0.431 . . . . 1.5 112.164 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -66.08 -42.32 89.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 3.65 110.627 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 57.6 ttp -61.01 -38.3 85.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 1.37 110.66 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.635 ' HD1' ' HB2' ' A' ' 62' ' ' SER . 92.4 t80 -66.0 -33.07 74.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.918 -0.583 . . . . 0.9 111.123 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.04 -45.88 76.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 2.38 110.439 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.34 -42.01 88.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.915 -0.584 . . . . 2.29 110.777 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -70.95 -31.84 68.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.155 -0.475 . . . . 3.45 111.117 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 27.0 ttmt -57.77 -55.15 38.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 1.22 110.791 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.88 -33.91 75.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 1.35 111.08 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -73.47 -42.6 61.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 2.03 110.726 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.99 99.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.91 110.528 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 87.0 mt -60.96 -39.31 89.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 1.63 111.005 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 184' ' ' LYS . 52.5 tptt -62.21 -46.2 89.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 3.14 110.373 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 19.8 m -66.64 -40.66 88.83 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.182 0.515 . . . . 1.29 110.717 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.9 -46.66 89.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 0.66 110.845 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -60.22 -35.34 75.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.71 111.727 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 180' ' ' LYS . 99.7 mttt -55.98 -51.89 66.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 2.83 110.977 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.427 ' HB2' HG21 ' A' ' 73' ' ' THR . 34.9 mmtp -76.71 -27.83 55.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.953 -0.567 . . . . 2.06 110.66 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' ASP . . . . . 0.442 ' HB3' ' HA ' ' A' ' 183' ' ' ALA . 31.8 t70 -66.35 -35.03 79.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 1.16 110.957 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 94.2 mt -60.73 -43.14 98.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.629 -0.508 . . . . 2.35 109.629 173.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -65.39 -40.15 93.1 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.753 -0.658 . . . . 2.76 110.106 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.532 HD13 HG22 ' A' ' 76' ' ' VAL . 52.9 tp -54.7 -43.93 72.96 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.846 0.355 . . . . 1.24 111.028 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.37 -40.95 96.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.446 . . . . 2.24 111.54 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -70.32 -45.74 65.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.24 0.543 . . . . 2.86 110.683 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 192' ' ' ILE . . . . . 1.053 HG23 HD12 ' A' ' 196' ' ' LEU . 45.2 mt -57.17 -51.5 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.323 -0.853 . . . . 1.24 111.308 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 12.4 p -61.45 -47.42 85.78 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.848 -0.341 . . . . 1.75 111.116 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -62.44 -57.35 11.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 3.84 111.702 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.28 -53.22 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.482 0.549 . . . . 3.54 112.482 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 1.053 HD12 HG23 ' A' ' 192' ' ' ILE . 63.2 mt . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.572 -0.286 . . . . 3.31 111.739 -170.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 18.7 Cg_exo . . . . . 0 N--CA 1.461 -0.393 0 CA-C-O 121.086 0.369 . . . . 1.71 111.426 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mm -63.64 -32.84 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.767 -0.651 . . . . 2.27 110.516 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.622 ' HA ' HD11 ' A' ' 49' ' ' LEU . 4.1 pp -67.01 -30.52 70.65 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.917 -0.313 . . . . 2.13 110.361 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.523 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -76.28 -32.92 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.07 0.462 . . . . 1.02 109.959 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -66.09 -44.15 85.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 2.23 110.145 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.36 -50.65 73.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 1.52 111.094 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 9.6 pt-20 -69.42 -27.09 64.97 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.866 -0.334 . . . . 2.43 111.025 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -64.7 -41.37 96.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.236 0.541 . . . . 1.99 109.545 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.561 ' HA ' ' HE2' ' A' ' 38' ' ' PHE . 38.6 m0 -65.23 -42.21 93.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.442 -0.799 . . . . 1.14 110.334 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.64 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -68.02 -38.83 83.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.968 -0.56 . . . . 1.4 110.373 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -58.5 -41.88 86.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.778 -0.646 . . . . 3.34 110.038 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.72 ' HG3' ' HB ' ' A' ' 30' ' ' ILE . 46.7 tpp -64.51 -47.32 79.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.217 -0.901 . . . . 1.35 110.592 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . . . -69.06 -51.75 35.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.785 -0.643 . . . . 1.17 112.391 -176.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -62.1 -39.13 91.47 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.56 0.578 . . . . 1.45 112.56 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.16 3.05 28.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.998 0.427 . . . . 2.5 110.59 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.6 t30 61.06 25.97 15.95 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.889 0.852 . . . . 2.34 110.179 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -80.78 -16.12 54.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.146 -0.934 . . . . 3.29 109.5 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.72 ' HB ' ' HG3' ' A' ' 24' ' ' MET . 6.3 tt -71.0 95.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.14 -0.936 . . . . 0.81 110.85 178.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.616 ' H ' HD22 ' A' ' 34' ' ' ASN . 21.1 m120 -71.27 159.87 33.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.817 -0.809 . . . . 2.15 108.817 173.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HA ' ' OG ' ' A' ' 35' ' ' SER . . . -62.67 -34.92 78.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.822 0.344 . . . . 1.0 111.317 -177.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.6 70.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.253 -0.43 . . . . 1.24 111.256 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.616 HD22 ' H ' ' A' ' 31' ' ' ASN . 13.2 p30 -110.96 14.53 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 1.45 111.125 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.486 ' HA ' HD11 ' A' ' 30' ' ' ILE . 67.4 m -72.15 -16.62 61.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.148 -1.056 . . . . 1.07 108.148 170.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.471 ' CZ2' ' HB2' ' A' ' 78' ' ' SER . 22.4 m95 -81.64 152.5 27.12 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 114.369 -1.287 . . . . 0.9 109.428 173.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 36' ' ' TRP . 7.2 t30 71.29 -2.18 2.48 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.179 0.925 . . . . 2.37 110.795 -173.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' HE2' ' HA ' ' A' ' 21' ' ' TRP . 11.7 m-85 -108.7 94.4 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.762 0.315 . . . . 1.61 110.76 175.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.493 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -136.12 117.09 14.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.088 0.47 . . . . 1.04 110.497 172.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.403 ' HA ' ' HD1' ' A' ' 43' ' ' TYR . 79.2 mt -73.28 -17.16 61.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.867 -0.606 . . . . 1.62 110.919 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 1.079 ' HA ' ' HD2' ' A' ' 44' ' ' PHE . 15.4 mt -62.62 -29.57 47.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.48 -0.782 . . . . 1.81 111.89 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.09 -29.66 70.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.877 0.37 . . . . 2.45 110.443 176.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.403 ' HD1' ' HA ' ' A' ' 40' ' ' LEU . 96.6 m-85 -73.23 -31.88 64.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 1.91 110.579 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 1.079 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 84.4 m-85 -65.19 -42.72 93.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.367 . . . . 2.0 110.693 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -75.83 -29.13 58.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.131 0.491 . . . . 1.33 110.394 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.94 -58.26 7.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.576 -0.738 . . . . 2.94 111.224 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 50.9 mtt 54.93 40.45 32.01 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.678 -0.692 . . . . 1.99 112.652 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 t -110.77 -32.7 6.77 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.13 -0.692 . . . . 3.73 109.13 169.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' A' ' 15' ' ' LEU . 8.4 tt -90.72 -52.12 5.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.599 -0.728 . . . . 2.19 110.128 178.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -73.45 -32.85 64.59 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.036 -0.529 . . . . 3.39 111.361 -175.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 47' ' ' MET . 47.6 tttp -86.51 126.43 34.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.98 -0.555 . . . . 3.18 110.149 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -122.13 101.5 7.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.03 -0.532 . . . . 2.55 110.4 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.25 -140.83 15.91 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.553 -0.749 . . . . 1.64 112.949 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.36 -29.41 59.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.987 0.422 . . . . 2.87 111.662 -173.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -131.21 -166.22 1.67 Allowed 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.569 -0.53 . . . . 1.64 109.569 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.58 130.52 56.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.311 0.577 . . . . 0.63 109.772 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 15.3 m120 -70.75 111.58 6.31 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.143 -0.935 . . . . 2.33 109.418 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.756 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 50.2 m-85 -70.76 -4.45 23.95 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.867 -0.606 . . . . 0.82 110.962 -176.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -72.01 -59.25 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.121 -0.696 . . . . 1.65 109.121 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 13.9 ptmm? -64.6 -27.69 69.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.315 -0.857 . . . . 2.25 110.073 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -66.87 -30.62 70.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.806 -0.634 . . . . 0.62 111.017 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.416 ' OG ' ' HG3' ' A' ' 174' ' ' ARG . 66.6 m -70.13 -40.52 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.445 -0.343 . . . . 1.13 110.399 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.6 t -61.11 -49.69 76.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.094 -0.503 . . . . 0.99 110.463 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.6 p -67.56 -26.41 66.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.456 . . . . 1.36 111.169 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HB2' HH21 ' A' ' 174' ' ' ARG . 3.4 tm? -65.29 -52.38 54.56 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.956 -0.387 . . . . 1.52 109.956 176.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.35 -42.09 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.82 110.191 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.589 ' HA2' ' HE2' ' A' ' 70' ' ' LYS . . . -65.59 -35.72 91.52 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.915 -0.66 . . . . 0.56 112.24 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.14 -53.27 52.16 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.578 0.351 . . . . 1.16 111.125 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.13 -37.05 76.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.32 0.581 . . . . 1.54 110.199 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.589 ' HE2' ' HA2' ' A' ' 67' ' ' GLY . 34.4 ttpt -65.7 -50.84 63.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.266 -0.879 . . . . 2.91 111.394 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.428 HD11 ' HB3' ' A' ' 38' ' ' PHE . 16.7 tt -72.76 -33.06 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 1.22 111.176 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.605 ' O ' HG23 ' A' ' 76' ' ' VAL . 33.2 t80 -57.79 -47.38 82.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.86 110.453 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.664 HG21 ' HB3' ' A' ' 185' ' ' LYS . 11.5 p -75.27 -27.89 59.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.359 0.503 . . . . 0.65 112.359 -175.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 p -70.94 -31.45 68.04 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.253 0.549 . . . . 1.3 109.823 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 75' ' ' ARG . 46.3 mtp180 -68.61 -31.78 71.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.647 -0.706 . . . . 1.69 109.917 173.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 192' ' ' ILE . 26.0 t -68.39 -35.3 70.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.2 0.524 . . . . 0.78 109.829 174.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -64.6 -28.94 69.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.869 0.366 . . . . 1.87 110.432 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.471 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 13.7 m -66.14 -48.81 69.57 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.184 0.516 . . . . 1.25 110.621 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.431 HG13 ' CH2' ' A' ' 36' ' ' TRP . 24.3 m -67.69 -28.28 41.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 116.171 -0.468 . . . . 1.4 110.567 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.588 ' HB2' HD13 ' A' ' 192' ' ' ILE . . . -58.3 -48.97 78.79 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.615 0.245 . . . . 1.45 111.431 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.5 m -61.76 -42.72 99.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.159 0.504 . . . . 1.96 110.196 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.759 -0.655 . . . . 2.42 112.009 -179.064 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.118 0.485 . . . . 4.42 111.116 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -62.44 -25.27 67.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.574 -0.739 . . . . 4.65 112.213 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 131' ' ' MET . 6.2 pt-20 -54.42 -32.2 56.82 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.93 0.395 . . . . 3.16 111.151 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.55 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 80.7 mtp -61.69 -38.03 86.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 3.28 110.346 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' A' ' 136' ' ' MET . 24.3 m -73.4 -41.19 63.63 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.821 -0.627 . . . . 1.58 111.161 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 133' ' ' LEU . 3.2 tm? -61.19 -51.97 66.79 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.723 -0.217 . . . . 1.83 111.193 -175.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 131' ' ' MET . 60.3 pttt -65.4 -30.66 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.825 -0.35 . . . . 3.67 110.7 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -67.03 -43.87 81.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 1.73 109.873 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.517 ' O ' HG23 ' A' ' 140' ' ' VAL . 44.5 mtm -63.53 -46.04 87.85 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.211 -0.45 . . . . 1.05 110.824 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.411 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 13.7 mmt -55.12 -43.99 74.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.003 0.43 . . . . 1.44 110.721 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -64.47 -44.46 90.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 3.44 110.543 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 143' ' ' ASP . 91.1 m -58.81 -41.42 86.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 1.16 110.799 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 136' ' ' MET . 75.2 t -62.74 -43.04 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.173 0.511 . . . . 1.15 110.89 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 49.0 mt -73.52 -37.8 65.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.457 -0.338 . . . . 1.45 111.196 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.545 ' HA ' ' ND1' ' A' ' 145' ' ' HIS . 8.3 mtpm? -70.57 -28.52 64.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.019 0.438 . . . . 3.01 110.215 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASP . . . . . 0.56 ' HA ' ' HG3' ' A' ' 146' ' ' LYS . 7.2 t70 -68.51 -31.48 70.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.445 0.64 . . . . 1.64 109.511 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.454 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 17.0 ttmm -61.11 -42.69 98.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.435 -0.802 . . . . 1.8 109.104 172.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.545 ' ND1' ' HA ' ' A' ' 142' ' ' LYS . 26.2 m170 -65.92 -30.13 70.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.162 -0.927 . . . . 0.84 110.517 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.56 ' HG3' ' HA ' ' A' ' 143' ' ' ASP . 38.2 mttp -57.69 -47.2 83.01 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.951 -0.388 . . . . 2.66 109.951 173.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 59.0 mt -59.93 -40.36 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.742 -0.663 . . . . 0.59 110.492 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -54.03 -47.95 71.03 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.973 -0.558 . . . . 2.39 110.47 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -63.16 -40.21 96.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.873 -0.603 . . . . 2.47 110.628 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' THR . . . . . 0.512 HG23 ' HB3' ' A' ' 44' ' ' PHE . 68.9 m -59.84 -51.46 69.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.71 111.302 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.17 -41.49 89.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 1.05 110.444 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.35 99.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.49 111.487 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 20.2 m -66.75 -45.5 78.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.533 -0.303 . . . . 0.54 110.634 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.3 -31.68 72.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.936 0.398 . . . . 1.37 110.643 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.562 ' O ' ' HB3' ' A' ' 158' ' ' LYS . 21.1 t70 -64.22 -37.8 88.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.01 -0.541 . . . . 0.78 111.033 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.524 ' OE2' ' HE2' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -77.6 -26.11 50.4 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.587 -0.445 . . . . 2.52 110.139 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.507 ' HA ' ' HD2' ' A' ' 160' ' ' LYS . 8.5 m-85 -66.28 -39.51 89.46 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.61 -0.515 . . . . 0.92 109.61 171.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 155' ' ' ASP . 19.8 ttpt -55.45 -38.71 69.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.333 -0.849 . . . . 1.93 110.173 172.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 156' ' ' GLU . 56.1 ttp180 -63.62 -47.22 82.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.503 -0.771 . . . . 3.78 110.768 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.524 ' HE2' ' OE2' ' A' ' 156' ' ' GLU . 23.5 mttm -63.22 -42.2 99.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.47 -0.332 . . . . 2.94 111.473 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -68.5 95.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.197 0.522 . . . . 1.97 111.05 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 9.7 p -96.41 -5.82 38.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.779 -0.646 . . . . 3.67 110.758 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 172.76 -176.22 45.65 Favored Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.637 -0.711 . . . . 3.19 111.546 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 70.63 29.17 69.92 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.974 -0.631 . . . . 2.95 111.799 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 39.0 t -165.15 135.57 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.981 0.419 . . . . 3.61 110.427 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -96.89 -11.55 24.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.44 0.638 . . . . 3.62 109.671 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -86.19 -4.28 84.13 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.204 -0.907 . . . . 1.32 112.686 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 1.5 m -66.3 -50.51 63.42 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.97 0.385 . . . . 1.5 110.956 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -72.67 -29.46 63.45 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.99 0.424 . . . . 3.65 110.365 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -67.15 -33.92 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 1.37 109.681 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.577 ' O ' ' HG3' ' A' ' 175' ' ' LYS . 73.2 t80 -61.81 -32.26 72.55 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.463 -0.789 . . . . 0.9 110.874 177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.419 ' HG3' ' HE2' ' A' ' 175' ' ' LYS . 36.3 tt0 -62.57 -49.17 76.32 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.131 0.491 . . . . 2.38 110.282 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -61.79 -30.07 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.664 . . . . 2.29 109.807 174.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.451 HH21 ' HB2' ' A' ' 65' ' ' LEU . 3.6 tmt_? -72.82 -29.6 63.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.285 -0.87 . . . . 3.45 110.916 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 171' ' ' PHE . 33.8 mtmt -64.7 -56.19 15.28 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.233 -0.654 . . . . 1.22 109.233 177.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.37 -34.0 77.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.267 -0.879 . . . . 1.35 110.802 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -58.25 -52.12 66.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 2.03 109.989 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.16 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.578 -0.737 . . . . 0.91 111.344 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 86.6 mt -56.72 -48.9 76.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 1.63 111.39 -176.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -68.7 -39.53 80.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.205 -0.452 . . . . 3.14 111.52 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 34.6 m -70.95 -40.93 71.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.197 0.523 . . . . 1.29 110.645 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 27.9 ttt -65.05 -42.73 93.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.769 -0.651 . . . . 0.66 110.639 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -66.86 -33.55 75.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.71 111.671 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 181' ' ' THR . 4.0 ptmm? -71.75 -40.79 69.11 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.6 0.714 . . . . 2.83 109.94 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.664 ' HB3' HG21 ' A' ' 73' ' ' THR . 45.4 mttp -73.94 -29.68 62.15 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.923 -1.035 . . . . 2.06 111.119 175.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.09 -31.32 72.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.034 -0.53 . . . . 1.16 110.971 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 93.0 mt -64.89 -34.64 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.989 -0.551 . . . . 2.35 110.52 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -70.37 -35.16 73.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 2.76 110.366 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.577 ' HG ' HG11 ' A' ' 76' ' ' VAL . 7.5 tt -59.94 -44.1 94.58 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.229 -0.656 . . . . 1.24 109.229 174.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -59.4 -43.18 93.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.525 -0.761 . . . . 2.24 110.668 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.77 -32.15 73.7 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.484 -0.326 . . . . 2.86 111.205 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 192' ' ' ILE . . . . . 0.611 HD12 HG12 ' A' ' 76' ' ' VAL . 20.4 mt -55.98 -52.28 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 1.24 110.218 175.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 13.3 p -68.83 -42.24 77.46 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.769 -0.372 . . . . 1.75 111.198 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.78 -55.1 33.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 3.84 111.427 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.91 -43.59 74.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.516 . . . . 3.54 111.319 -174.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 192' ' ' ILE . 2.7 mm? . . . . . 0 C--O 1.214 -0.809 0 N-CA-C 111.962 0.356 . . . . 3.31 111.962 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 C--O 1.234 0.324 0 CA-C-O 121.278 0.449 . . . . 1.71 112.834 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mt -61.31 -34.73 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.429 -0.805 . . . . 2.27 110.052 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 7.8 mp -62.5 -46.87 86.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.357 -0.838 . . . . 2.13 110.097 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.68 90.9 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.0 -0.545 . . . . 1.02 111.21 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -60.97 -44.78 96.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.073 0.463 . . . . 2.23 110.067 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.557 ' O ' ' HG2' ' A' ' 22' ' ' MET . 60.8 t80 -63.81 -39.85 95.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.594 -0.73 . . . . 1.52 110.755 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 27.2 mm-40 -59.1 -54.09 51.02 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.125 -0.489 . . . . 2.43 111.557 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.79 -35.05 79.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.886 0.374 . . . . 1.99 110.486 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.569 ' CZ3' ' HE1' ' A' ' 43' ' ' TYR . 9.7 m0 -58.99 -46.04 89.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.954 -0.566 . . . . 1.14 110.697 175.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 26.6 mmt -62.13 -43.25 99.25 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.296 -0.411 . . . . 1.4 110.371 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -59.46 -45.83 90.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 3.34 110.672 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.8 ttm -71.82 -40.07 69.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.97 -0.559 . . . . 1.35 111.234 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.57 -44.8 73.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 1.17 111.636 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -66.99 -35.46 80.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 1.45 111.408 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.76 -3.45 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.937 0.398 . . . . 2.5 110.688 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.9 m120 62.82 37.83 12.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.752 -0.658 . . . . 2.34 112.0 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -108.46 26.9 9.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.261 0.553 . . . . 3.29 111.047 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 35' ' ' SER . 5.1 tt -81.97 112.07 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.845 -0.616 . . . . 0.81 110.006 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.646 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 41.1 m-80 -69.35 146.2 52.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.02 -0.537 . . . . 2.15 109.819 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -66.96 -31.19 71.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.741 0.305 . . . . 1.0 111.179 -178.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.7 -48.32 77.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.19 0.519 . . . . 1.24 110.815 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.646 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 2.0 p-10 -99.14 14.93 27.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.965 -0.561 . . . . 1.45 111.018 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 20.5 t -66.31 -22.96 66.3 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.806 -1.183 . . . . 1.07 107.806 171.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -74.49 138.82 43.44 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.796 -1.093 . . . . 0.9 109.276 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 69.27 4.81 4.78 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.937 -1.029 . . . . 2.37 111.5 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -104.49 24.89 10.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.845 0.355 . . . . 1.61 110.478 177.302 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.9 119.66 20.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.239 0.542 . . . . 1.04 111.237 -175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.672 HD13 HG13 ' A' ' 71' ' ' ILE . 8.7 mp -70.45 -20.92 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.467 -0.788 . . . . 1.62 109.993 174.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.852 ' HA ' ' HD2' ' A' ' 44' ' ' PHE . 12.6 mt -65.79 -29.62 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 114.638 -1.165 . . . . 1.81 112.327 -170.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.75 -31.65 72.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 2.45 110.757 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.569 ' HE1' ' CZ3' ' A' ' 21' ' ' TRP . 67.0 m-85 -71.59 -29.36 64.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 1.91 112.021 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.852 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 73.9 m-85 -58.01 -34.03 69.58 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.633 0.234 . . . . 2.0 111.633 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CE1' ' HG2' ' A' ' 146' ' ' LYS . 33.2 m170 -66.3 -46.45 76.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.683 -0.235 . . . . 1.33 111.059 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.35 -50.76 71.6 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.552 -0.536 . . . . 2.94 109.552 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.1 ttt 71.52 -14.89 0.46 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.301 -0.863 . . . . 1.99 112.356 172.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -58.73 -26.07 63.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.478 0.548 . . . . 3.73 112.478 -174.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD22 ' HG ' ' A' ' 15' ' ' LEU . 64.3 mt -89.45 -9.45 50.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.944 0.402 . . . . 2.19 111.36 -175.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD21 HG21 ' A' ' 64' ' ' THR . 97.1 mt -111.76 -30.76 7.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.467 0.651 . . . . 3.39 110.018 178.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 29.0 ttpp -83.03 137.72 34.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.354 -0.839 . . . . 3.18 109.898 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -119.3 99.1 6.49 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.184 -0.673 . . . . 2.55 109.184 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.85 -114.0 3.74 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.774 -0.727 . . . . 1.64 111.898 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -102.75 -11.67 18.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.763 0.316 . . . . 2.87 111.112 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.4 t -127.47 163.59 23.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.742 -0.466 . . . . 1.64 109.742 -175.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 7.1 p -113.12 132.59 61.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.385 0.612 . . . . 0.63 111.335 -174.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.436 ' HB2' ' HG2' ' A' ' 60' ' ' LYS . 12.3 m120 -70.31 101.73 1.98 Allowed 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.082 -0.963 . . . . 2.33 109.852 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.707 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 61.0 m-85 -62.89 -10.31 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.82 110.418 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -71.82 -58.71 3.23 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.286 -0.635 . . . . 1.65 109.286 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HG2' ' HB2' ' A' ' 57' ' ' ASN . 7.2 ptpp? -71.61 -27.64 63.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.834 -0.621 . . . . 2.25 110.321 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.707 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -65.98 -44.03 86.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.62 111.304 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.725 ' HB2' ' HG2' ' A' ' 174' ' ' ARG . 55.9 p -66.09 -39.52 90.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.884 0.373 . . . . 1.13 110.466 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.88 -45.06 94.34 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.014 -0.539 . . . . 0.99 110.766 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.51 HG21 HD21 ' A' ' 50' ' ' LEU . 17.3 p -75.18 -28.9 60.24 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.326 -0.397 . . . . 1.36 111.67 -178.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' CYS . 50.4 tp -68.38 -43.31 77.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.098 0.475 . . . . 1.52 109.92 176.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.58 -46.59 85.17 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.842 -0.617 . . . . 0.82 110.303 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.459 ' O ' HG12 ' A' ' 71' ' ' ILE . . . -62.09 -32.11 81.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.388 -0.823 . . . . 0.56 111.764 176.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.616 ' SG ' HG12 ' A' ' 41' ' ' ILE . 51.8 t -60.2 -41.99 94.15 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.519 0.327 . . . . 1.16 110.563 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.06 -40.13 82.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.103 0.478 . . . . 1.54 110.106 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -66.67 -50.77 61.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 2.91 111.111 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.672 HG13 HD13 ' A' ' 40' ' ' LEU . 49.4 mm -60.96 -38.99 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.011 0.434 . . . . 1.22 110.877 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.601 ' HE2' HD22 ' A' ' 189' ' ' LEU . 46.6 t80 -58.41 -56.04 27.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.86 110.312 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 p -70.96 -26.16 63.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.015 -0.539 . . . . 0.65 111.531 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.3 t -59.89 -40.22 87.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.075 0.464 . . . . 1.3 109.878 174.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.0 mtp180 -73.03 -33.51 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 1.69 110.39 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 72' ' ' TYR . 56.1 t -61.65 -46.44 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.081 0.467 . . . . 0.78 109.992 175.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.43 -39.11 78.9 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.732 -0.667 . . . . 1.87 110.373 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.8 m -61.99 -38.26 87.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.086 -0.506 . . . . 1.25 110.873 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 75' ' ' ARG . 27.3 t -62.1 -48.56 87.91 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 N-CA-C 110.098 -0.334 . . . . 1.4 110.098 176.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.12 75.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 1.45 110.888 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 m -69.25 -33.58 73.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.877 -0.602 . . . . 1.96 110.302 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 121.079 0.466 . . . . 2.42 109.853 176.771 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.624 0.25 . . . . 4.42 111.185 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -69.09 -34.77 75.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.022 0.439 . . . . 4.65 110.35 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -63.52 -39.21 93.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.929 -0.578 . . . . 3.16 110.423 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.37 -32.74 71.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.626 -0.715 . . . . 3.28 110.622 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.1 m -66.81 -31.97 72.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 1.58 110.837 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.463 ' HB3' HD21 ' A' ' 196' ' ' LEU . 4.5 mm? -65.45 -46.71 78.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.971 0.415 . . . . 1.83 110.308 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.47 -39.6 88.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.768 -0.651 . . . . 3.67 109.813 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -56.73 -50.59 71.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.648 -0.705 . . . . 1.73 111.204 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 69.7 mtm -62.9 -37.68 87.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.738 -0.21 . . . . 1.05 111.06 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 12.2 mmt -58.41 -50.26 74.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 1.44 110.629 174.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -57.58 -36.76 72.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.204 -0.453 . . . . 3.44 110.665 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.435 HG22 HH22 ' A' ' 75' ' ' ARG . 54.5 m -66.86 -52.82 38.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.639 -0.709 . . . . 1.16 111.627 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.632 HG13 HD12 ' A' ' 141' ' ' LEU . 10.8 p -66.3 -39.32 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 120.989 -0.284 . . . . 1.15 111.56 -175.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.632 HD12 HG13 ' A' ' 140' ' ' VAL . 7.5 mp -65.27 -27.49 68.68 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.08 -0.388 . . . . 1.45 111.379 174.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -67.77 -33.55 75.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 3.01 109.841 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASP . . . . . 0.513 ' HB3' HD12 ' A' ' 41' ' ' ILE . 7.6 m-20 -67.1 -31.39 71.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.031 -0.531 . . . . 1.64 110.432 175.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 141' ' ' LEU . 38.2 ttpt -58.74 -41.52 86.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.755 -0.461 . . . . 1.8 109.755 174.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.482 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 29.1 m170 -61.47 -39.26 90.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.705 -0.68 . . . . 0.84 110.656 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.53 ' HG2' ' CE1' ' A' ' 45' ' ' HIS . 87.0 mttt -59.75 -39.9 86.34 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.242 0.544 . . . . 2.66 110.117 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 143' ' ' ASP . 69.6 mt -61.82 -48.06 90.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.544 -0.753 . . . . 0.59 110.308 178.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 144' ' ' LYS . 63.1 mm-40 -53.33 -48.76 68.19 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.836 -0.62 . . . . 2.39 111.012 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 41.3 mt-10 -62.44 -46.59 87.86 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.62 -0.718 . . . . 2.47 111.143 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 24.3 m -64.23 -44.05 93.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.94 -0.573 . . . . 0.71 111.379 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.6 -46.37 90.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.602 0.239 . . . . 1.05 110.91 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.94 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.49 110.876 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.9 m -68.18 -49.57 60.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.54 110.693 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.13 -40.19 95.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.282 -0.417 . . . . 1.37 110.92 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.463 ' HA ' ' HE2' ' A' ' 171' ' ' PHE . 23.0 t70 -63.52 -29.58 70.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.961 -0.563 . . . . 0.78 110.772 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.89 -36.88 64.83 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.284 -0.416 . . . . 2.52 110.315 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -61.42 -46.11 91.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.636 -0.505 . . . . 0.92 109.636 172.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' ' 158' ' ' LYS . 11.9 ttpt -59.55 -36.86 77.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 1.93 110.855 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -64.28 -48.59 75.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.698 -0.683 . . . . 3.78 111.164 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -71.45 -28.7 64.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.681 0.277 . . . . 2.94 111.083 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -69.83 160.92 30.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.164 0.507 . . . . 1.97 111.052 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 15.8 m -76.91 133.97 39.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.752 -0.658 . . . . 3.67 110.505 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' GLY . . . . . 0.494 ' HA2' HG21 ' A' ' 168' ' ' THR . . . -69.42 -26.61 74.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.948 -0.644 . . . . 3.19 112.587 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -80.95 -3.46 90.61 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.98 -0.629 . . . . 2.95 112.61 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 64.8 m -81.8 149.82 28.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.646 0.26 . . . . 3.61 110.378 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -73.47 135.26 44.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.414 -0.357 . . . . 3.62 110.115 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 109.95 -38.87 3.11 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.845 -0.693 . . . . 1.32 111.64 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.494 HG21 ' HA2' ' A' ' 163' ' ' GLY . 5.1 m -59.18 -49.32 78.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.061 0.458 . . . . 1.5 110.967 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -72.0 -33.03 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.868 -0.605 . . . . 3.65 110.21 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 58.4 ttp -63.7 -44.35 93.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 1.37 110.259 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.463 ' HE2' ' HA ' ' A' ' 155' ' ' ASP . 84.0 t80 -68.41 -44.04 75.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.014 -0.539 . . . . 0.9 110.914 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.86 -45.74 85.88 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.276 0.56 . . . . 2.38 110.12 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.65 -43.72 92.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.158 -0.928 . . . . 2.29 111.24 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.725 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 16.3 tpp180 -67.5 -38.0 83.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 3.45 111.049 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 36.2 ttpt -61.58 -51.57 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.602 -0.272 . . . . 1.22 111.071 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.03 -36.61 80.0 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.132 -0.227 . . . . 1.35 111.13 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.0 -41.7 74.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.731 0.3 . . . . 2.03 110.538 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.53 95.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.91 110.721 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 87.0 mt -67.24 -35.35 79.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.085 0.469 . . . . 1.63 110.589 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.77 -52.32 57.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 3.14 110.607 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' THR . . . . . 0.474 ' O ' ' HD3' ' A' ' 185' ' ' LYS . 13.2 t -71.16 -32.55 69.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.297 -0.41 . . . . 1.29 110.511 -178.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 26.6 ttt -60.6 -39.16 87.14 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.403 -0.221 . . . . 0.66 110.403 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' ALA . . . . . 0.53 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -62.93 -38.68 91.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.876 0.37 . . . . 0.71 110.838 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -67.67 -41.3 83.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 2.83 110.819 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 181' ' ' THR . 5.0 mptp? -69.81 -35.18 74.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 2.06 110.391 176.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 189' ' ' LEU . 10.3 t70 -62.07 -34.04 75.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 1.16 110.892 178.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 93.2 mt -59.13 -48.74 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 2.35 111.086 178.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 188' ' ' LYS . 0.2 OUTLIER -77.68 -30.17 51.81 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.019 -0.272 . . . . 2.76 110.809 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.601 HD22 ' HE2' ' A' ' 72' ' ' TYR . 8.0 tp -56.18 -61.8 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 1.24 110.746 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -67.67 -25.88 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 2.24 110.904 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -61.18 -44.45 97.28 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.719 -0.475 . . . . 2.86 109.719 174.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 192' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.9 -40.51 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 1.24 110.489 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 5.4 m -60.24 -44.28 95.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.86 0.362 . . . . 1.75 111.213 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -69.27 -47.39 64.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.364 . . . . 3.84 110.76 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.7 tp -56.51 -43.52 79.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.936 -0.575 . . . . 3.54 110.605 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 133' ' ' LEU . 49.6 tp . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.861 -0.609 . . . . 3.31 110.787 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo . . . . . 0 C--O 1.235 0.339 0 CA-C-O 120.768 0.237 . . . . 1.71 111.769 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mm -57.14 -38.58 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.948 -0.569 . . . . 2.27 111.51 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 16' ' ' ALA . 3.6 pp -58.68 -29.88 66.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.027 -0.533 . . . . 2.13 112.049 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -74.98 -28.59 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 1.02 111.238 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -70.7 -35.96 73.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.147 0.499 . . . . 2.23 110.045 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.455 ' O ' ' HG2' ' A' ' 22' ' ' MET . 37.2 t80 -76.23 -26.46 56.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.196 0.522 . . . . 1.52 110.171 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -67.14 -43.13 83.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 2.43 111.837 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.44 -32.72 74.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.066 0.46 . . . . 1.99 110.014 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -61.83 -39.06 90.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.703 -0.68 . . . . 1.14 110.659 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 29.0 mmt -66.85 -39.66 87.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 1.4 110.347 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.91 -36.9 85.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.157 0.503 . . . . 3.34 110.415 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.998 ' HG3' ' HG3' ' A' ' 29' ' ' LYS . 38.1 ttm -74.24 -38.81 63.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.12 -0.491 . . . . 1.35 110.918 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.79 79.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 1.17 112.2 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.3 p -59.69 -45.69 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.047 0.451 . . . . 1.45 111.403 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.43 -0.52 57.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.792 -0.64 . . . . 2.5 110.669 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 t30 55.88 39.46 30.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.166 -0.924 . . . . 2.34 111.111 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.998 ' HG3' ' HG3' ' A' ' 24' ' ' MET . 18.5 ptmt -91.56 20.74 5.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.047 -0.524 . . . . 3.29 110.44 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' A' ' 35' ' ' SER . 5.2 tt -80.18 114.74 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.604 -0.725 . . . . 0.81 110.084 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.418 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 45.0 m-80 -82.67 146.11 29.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.071 -0.513 . . . . 2.15 110.184 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.519 ' HA ' ' OG ' ' A' ' 35' ' ' SER . . . -62.51 -31.08 71.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.994 -173.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.31 75.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.899 0.38 . . . . 1.24 110.914 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 2.1 p-10 -111.42 13.56 21.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.41 -0.359 . . . . 1.45 111.662 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' HD11 ' A' ' 30' ' ' ILE . 69.5 m -63.96 -26.8 68.74 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.97 0.891 . . . . 1.07 108.745 171.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.45 ' O ' ' HB3' ' A' ' 37' ' ' ASN . 28.3 m95 -88.03 135.36 33.45 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.645 -1.161 . . . . 0.9 108.751 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 36' ' ' TRP . 28.7 t-20 80.23 0.25 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.768 1.293 . . . . 2.37 110.023 -171.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -105.17 23.39 13.73 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.867 -0.606 . . . . 1.61 109.733 172.369 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.23 119.44 14.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.246 -0.434 . . . . 1.04 111.128 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.641 HD13 HD13 ' A' ' 71' ' ' ILE . 7.2 mp -69.3 -25.24 64.13 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.875 -0.602 . . . . 1.62 110.926 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 44' ' ' PHE . 9.7 tp -59.62 -28.82 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 1.81 111.799 -174.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.1 -47.71 84.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.119 0.485 . . . . 2.45 110.157 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.431 ' HB3' HD21 ' A' ' 49' ' ' LEU . 86.8 m-85 -84.62 -30.67 24.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.524 -0.762 . . . . 1.91 111.303 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.467 ' HB3' ' HA ' ' A' ' 41' ' ' ILE . 21.9 t80 -59.81 -33.42 71.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.407 -0.36 . . . . 2.0 110.658 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -23.46 67.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 1.33 110.894 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 47' ' ' MET . 12.9 t70 -100.54 1.02 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.581 . . . . 2.94 109.582 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 63.6 mtt 73.07 176.28 0.27 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.243 -0.889 . . . . 1.99 111.541 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.5 m -52.36 130.33 30.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.678 -0.692 . . . . 3.73 111.072 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 43' ' ' TYR . 4.6 mm? -66.98 -18.85 65.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 2.19 111.313 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.01 23.6 4.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.37 -0.377 . . . . 3.39 110.836 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -70.18 169.43 13.63 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.65 -0.5 . . . . 3.18 109.65 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -105.1 96.93 6.87 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.902 0.382 . . . . 2.55 110.338 -176.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.74 -107.87 2.18 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.337 -0.705 . . . . 1.64 111.337 -175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -112.07 -2.8 14.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.431 -0.581 . . . . 2.87 109.431 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 t -88.89 149.66 23.24 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.585 -0.734 . . . . 1.64 109.129 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.55 131.36 71.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.577 0.703 . . . . 0.63 110.972 -173.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.694 ' HB2' ' HG2' ' A' ' 60' ' ' LYS . 6.3 m120 -80.41 113.85 18.88 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.948 -1.024 . . . . 2.33 108.381 177.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.5 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 47.4 m-85 -63.87 -11.26 26.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.417 -0.356 . . . . 0.82 111.076 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' HA ' ' HE1' ' A' ' 170' ' ' MET . 64.4 tt0 -72.54 -58.31 3.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.272 0.558 . . . . 1.65 110.014 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -68.89 -30.94 69.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.471 -0.786 . . . . 2.25 110.634 178.041 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' A' ' 154' ' ' LEU . . . -65.96 -38.08 87.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.62 110.203 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.0 t -57.68 -48.92 78.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.71 -0.677 . . . . 1.13 110.293 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.16 -40.64 96.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.99 110.838 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.2 m -63.03 -44.19 96.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 1.36 110.715 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.23 -50.45 73.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.016 0.436 . . . . 1.52 110.676 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.33 -40.39 86.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.642 . . . . 0.82 110.953 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.81 -35.67 90.0 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.849 -0.614 . . . . 0.56 112.518 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.4 m -62.52 -40.56 97.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.473 0.137 . . . . 1.16 110.892 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.31 -42.79 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 120.989 0.423 . . . . 1.54 110.628 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -60.91 -51.87 67.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.672 -0.694 . . . . 2.91 111.134 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.641 HD13 HD13 ' A' ' 40' ' ' LEU . 14.4 tt -72.39 -34.12 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.167 -0.469 . . . . 1.22 111.153 -176.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.466 ' HE1' ' O ' ' A' ' 140' ' ' VAL . 57.6 t80 -54.66 -53.31 56.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.953 0.406 . . . . 0.86 110.978 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.717 HG21 ' HB3' ' A' ' 185' ' ' LYS . 7.0 p -71.28 -28.83 64.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.086 -0.506 . . . . 0.65 111.378 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.9 m -70.4 -26.6 63.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.109 0.481 . . . . 1.3 110.461 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -72.57 -29.14 63.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.79 -0.448 . . . . 1.69 109.79 173.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.912 HG12 HG13 ' A' ' 192' ' ' ILE . 21.7 t -68.33 -40.24 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.613 0.72 . . . . 0.78 109.435 172.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.7 -36.85 72.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 1.87 109.829 171.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.9 m -69.89 -37.86 76.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.516 -0.765 . . . . 1.25 111.866 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 76' ' ' VAL . 13.9 p -63.93 -40.13 87.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 C-N-CA 120.41 -0.516 . . . . 1.4 110.553 -178.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB2' HG23 ' A' ' 192' ' ' ILE . . . -70.12 -31.71 69.38 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.558 -0.457 . . . . 1.45 111.265 176.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.4 m -59.8 -32.18 70.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.235 0.54 . . . . 1.96 110.094 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 2.42 110.423 178.464 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.826 0.346 . . . . 4.42 110.769 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.74 -41.91 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 4.65 111.728 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -25.88 68.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.527 -0.306 . . . . 3.16 111.343 -177.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 66.1 mtt -52.91 -46.12 67.89 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.923 -0.581 . . . . 3.28 111.442 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -72.95 -50.87 20.88 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.93 -0.308 . . . . 1.58 110.52 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 133' ' ' LEU . 4.1 mm? -59.75 -47.47 85.56 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.308 0.485 . . . . 1.83 112.308 -174.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -62.93 -50.28 71.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 3.67 110.418 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -54.69 -46.6 74.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.452 -0.794 . . . . 1.73 111.389 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.403 ' CE ' ' HA ' ' A' ' 79' ' ' VAL . 33.5 mtp -66.13 -45.07 82.35 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.773 0.286 . . . . 1.05 111.773 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.516 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 11.8 mmt -61.59 -48.08 82.57 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.119 0.485 . . . . 1.44 110.336 175.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.0 -43.92 91.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.686 -0.688 . . . . 3.44 110.862 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 90.7 m -58.77 -48.59 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 1.16 111.868 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.616 ' HA ' ' HB2' ' A' ' 143' ' ' ASP . 16.7 m -70.46 -32.02 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 120.68 -0.408 . . . . 1.15 111.656 -178.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 137' ' ' MET . 69.8 mt -65.98 -47.77 73.45 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.325 -0.55 . . . . 1.45 110.308 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 146' ' ' LYS . 75.4 mmtt -62.85 -29.02 70.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.32 0.581 . . . . 3.01 109.983 175.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 140' ' ' VAL . 0.2 OUTLIER -61.28 -47.43 86.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.217 -0.901 . . . . 1.64 110.052 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.07 -41.63 83.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.659 -0.7 . . . . 1.8 110.441 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -60.31 -40.03 89.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.968 -0.56 . . . . 0.84 110.768 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.41 ' HB2' HG12 ' A' ' 41' ' ' ILE . 61.8 mttp -70.74 -37.39 73.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 2.66 110.67 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.545 ' O ' HG13 ' A' ' 151' ' ' ILE . 80.2 mt -58.28 -52.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.239 -0.437 . . . . 0.59 110.262 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.2 -37.69 78.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.179 -0.464 . . . . 2.39 110.787 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.75 -47.16 87.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 2.47 110.519 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 18.6 m -68.92 -36.28 77.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.71 110.872 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 147' ' ' ILE . 79.3 mt -58.48 -51.08 75.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-O 120.67 0.271 . . . . 1.05 110.437 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.14 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.49 110.787 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.751 ' O ' ' HG2' ' A' ' 156' ' ' GLU . 99.1 m -65.54 -42.1 92.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.934 -0.576 . . . . 0.54 111.174 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.494 HD21 ' HB1' ' A' ' 61' ' ' ALA . 17.7 tp -72.8 -28.14 62.4 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 121.798 -0.564 . . . . 1.37 109.988 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 158' ' ' LYS . 13.1 t70 -67.6 -35.27 78.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.62 -0.718 . . . . 0.78 110.472 177.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.751 ' HG2' ' O ' ' A' ' 153' ' ' THR . 10.4 pt-20 -75.09 -25.9 58.89 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.768 0.318 . . . . 2.52 110.249 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.448 ' HD2' ' O ' ' A' ' 153' ' ' THR . 12.3 m-85 -66.65 -44.71 81.19 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.335 -0.617 . . . . 0.92 109.335 169.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.497 ' HD3' ' HD2' ' A' ' 171' ' ' PHE . 24.6 ttpp -56.83 -37.41 71.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.014 -0.994 . . . . 1.93 110.22 176.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -60.56 -46.27 90.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 3.78 110.983 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -57.6 -50.11 74.2 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.278 -0.419 . . . . 2.94 111.022 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -77.01 97.71 4.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.995 0.426 . . . . 1.97 110.715 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 20.3 m -95.66 164.98 12.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.292 -0.413 . . . . 3.67 111.046 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 69.95 -155.37 53.19 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.923 -0.581 . . . . 3.19 112.374 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -101.75 33.27 6.63 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.987 -0.625 . . . . 2.95 111.541 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.1 p -76.49 -25.6 54.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.789 0.328 . . . . 3.61 111.123 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -143.79 -172.47 3.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.099 -0.5 . . . . 3.62 110.099 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.81 41.28 2.35 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.086 -0.578 . . . . 1.32 112.273 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 27.1 m -57.01 -51.55 68.79 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.395 0.678 . . . . 1.5 111.994 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -73.15 -33.89 65.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.827 0.346 . . . . 3.65 110.494 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' MET . . . . . 0.507 ' HE1' ' HA ' ' A' ' 59' ' ' GLN . 13.7 tmm? -65.63 -41.37 92.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 1.37 110.502 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.5 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 40.9 t80 -67.91 -35.48 78.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.9 110.584 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 176' ' ' GLU . 30.1 tt0 -66.39 -43.71 85.1 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.707 -0.479 . . . . 2.38 109.707 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 177' ' ' LYS . 56.1 m-20 -56.82 -42.91 80.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.758 -0.655 . . . . 2.29 109.865 173.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -62.91 -45.28 93.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.553 -0.749 . . . . 3.45 111.388 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -55.4 -47.0 76.55 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.112 0.257 . . . . 1.22 110.993 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 172' ' ' GLU . 28.5 mt-10 -52.9 -50.63 63.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.496 0.665 . . . . 1.35 110.387 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 173' ' ' ASP . 40.4 mmtm -67.95 -36.36 79.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.912 -1.04 . . . . 2.03 110.986 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -64.82 -51.31 62.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.366 -0.379 . . . . 0.91 110.763 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.81 -31.07 72.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 1.63 110.801 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 88.1 tttt -70.48 -51.18 30.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.513 . . . . 3.14 110.37 178.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 25.6 m -63.6 -34.47 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.101 0.477 . . . . 1.29 110.434 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.4 ttt -65.62 -34.29 77.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.66 110.239 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' ALA . . . . . 0.528 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -75.44 -30.0 59.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 0.71 110.532 177.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 180' ' ' LYS . 74.6 mmtt -69.18 -46.64 66.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 2.83 110.282 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.717 ' HB3' HG21 ' A' ' 73' ' ' THR . 74.9 mmtt -77.8 -11.0 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.137 -0.483 . . . . 2.06 110.727 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' ASP . . . . . 0.528 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 9.0 t70 -58.78 -34.15 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 1.16 111.573 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 184' ' ' LYS . 4.6 pp -62.93 -23.93 67.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.536 -0.302 . . . . 2.35 110.746 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 192' ' ' ILE . 26.1 mtpp -73.58 -38.04 65.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.439 -0.346 . . . . 2.76 110.67 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.824 ' HA ' HG11 ' A' ' 76' ' ' VAL . 59.6 tp -64.37 -44.44 91.36 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.162 0.506 . . . . 1.24 110.024 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.08 -28.52 62.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.24 110.781 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 191' ' ' GLU . . . . . 0.475 ' O ' HD13 ' A' ' 195' ' ' LEU . 41.5 tt0 -65.9 -47.86 73.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.541 -0.299 . . . . 2.86 110.227 174.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 192' ' ' ILE . . . . . 0.912 HG13 HG12 ' A' ' 76' ' ' VAL . 31.0 mm -59.49 -38.21 74.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 1.24 111.128 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 193' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 196' ' ' LEU . 27.5 p -75.73 -31.05 59.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 1.75 110.754 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.89 -35.93 82.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.413 0.625 . . . . 3.84 109.885 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 191' ' ' GLU . 7.7 mp -72.93 -32.87 65.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 3.54 110.087 174.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 193' ' ' THR . 31.4 tp . . . . . 0 N--CA 1.469 0.516 0 C-N-CA 123.517 0.727 . . . . 3.31 110.704 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.272 -0.331 . . . . 21.3 112.272 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -125.05 145.02 50.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.925 0.393 . . . . 20.91 110.812 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 50.0 tpp -81.09 -33.31 33.43 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.389 -0.597 . . . . 18.53 109.389 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -95.63 114.8 26.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.723 -0.671 . . . . 17.71 110.157 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -113.48 -178.42 3.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.835 -0.62 . . . . 14.57 110.231 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.13 153.08 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.491 -0.322 . . . . 12.18 110.503 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 p -64.67 149.05 96.35 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.075 -0.511 . . . . 9.93 111.472 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.33 26.11 0.56 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.127 2.552 . . . . 8.73 112.818 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -64.66 152.28 42.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.126 -0.488 . . . . 8.19 111.339 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 tptm 68.5 105.39 0.05 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.203 -0.908 . . . . 6.67 111.937 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.55 164.26 16.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.654 . . . . 6.27 110.177 176.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.85 109.74 34.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.515 -0.55 . . . . 3.08 109.515 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.5 140.02 85.01 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.736 2.291 . . . . 1.71 112.147 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.4 mm -59.56 -37.46 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 2.27 109.774 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.692 ' HA ' HD11 ' A' ' 49' ' ' LEU . 96.1 mt -58.33 -42.28 86.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.788 -0.642 . . . . 2.13 110.351 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.79 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.989 -0.551 . . . . 1.02 111.115 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -65.58 -34.33 77.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.302 0.572 . . . . 2.23 110.036 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.569 ' O ' ' HG2' ' A' ' 22' ' ' MET . 73.0 t80 -69.84 -40.32 75.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.87 -0.605 . . . . 1.52 109.991 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 54.4 mm-40 -61.5 -46.15 91.22 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.947 -0.569 . . . . 2.43 111.729 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' MET . 11.0 pt-20 -64.02 -40.77 97.08 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.043 -0.263 . . . . 1.99 110.482 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -60.32 -40.47 90.69 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.424 -0.353 . . . . 1.14 110.887 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 28.1 mmt -64.67 -46.06 84.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.101 -0.5 . . . . 1.4 110.19 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -59.39 -41.45 89.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 3.34 110.598 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.676 ' HA ' ' HB3' ' A' ' 29' ' ' LYS . 85.4 mmm -61.56 -50.15 73.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.778 -0.647 . . . . 1.35 110.669 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.16 62.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.575 0.583 . . . . 1.17 112.575 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -66.04 -40.33 90.9 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.379 0.511 . . . . 1.45 112.379 -172.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 5.62 47.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.112 -0.495 . . . . 2.5 111.719 -173.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 59.74 25.49 14.5 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.552 0.691 . . . . 2.34 109.774 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.676 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 87.1 tttt -75.81 -24.72 55.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.021 -0.991 . . . . 3.29 110.026 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.595 ' HB ' ' HB3' ' A' ' 24' ' ' MET . 10.7 tt -71.07 101.69 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.31 -0.859 . . . . 0.81 110.946 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -68.37 165.36 18.9 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.989 -0.551 . . . . 2.15 110.227 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.56 66.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.709 0.633 . . . . 1.0 112.709 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.06 -33.21 70.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.552 . . . . 1.24 111.19 -177.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -110.9 16.37 21.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.699 -0.682 . . . . 1.45 111.346 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.509 ' HA ' HD11 ' A' ' 30' ' ' ILE . 96.1 p -71.86 -12.08 61.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.344 -0.984 . . . . 1.07 108.344 172.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -85.55 159.41 19.9 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 114.121 -1.4 . . . . 0.9 109.72 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 69.06 0.71 2.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.193 -0.912 . . . . 2.37 110.834 -171.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -107.83 101.29 10.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.208 -0.451 . . . . 1.61 109.893 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.21 118.46 19.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.99 0.424 . . . . 1.04 110.399 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.22 -17.5 62.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.895 -0.593 . . . . 1.62 110.726 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.465 HD11 HG12 ' A' ' 147' ' ' ILE . 48.6 mm -57.4 -28.98 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.456 -0.793 . . . . 1.81 111.232 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.06 -46.17 68.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.05 0.452 . . . . 2.45 110.624 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -83.86 -30.34 26.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.697 -0.683 . . . . 1.91 110.712 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' HA ' HD21 ' A' ' 50' ' ' LEU . 1.4 t80 -72.16 -46.52 56.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.595 -0.729 . . . . 2.0 110.518 -172.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -53.27 27.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.0 -0.545 . . . . 1.33 110.549 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -96.33 96.51 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.94 109.521 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.708 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . 66.9 mtt -67.78 85.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.82 -0.627 . . . . 1.99 111.125 -176.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -109.9 -70.75 0.79 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.49 -0.777 . . . . 3.73 110.291 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.692 HD11 ' HA ' ' A' ' 15' ' ' LEU . 10.0 tt -66.73 -44.1 82.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.513 -0.767 . . . . 2.19 111.251 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 44' ' ' PHE . 2.2 pp -85.8 0.53 52.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.14 0.422 . . . . 3.39 112.14 -174.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 47' ' ' MET . 39.2 ttpt -104.5 125.09 50.35 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.84 -0.43 . . . . 3.18 109.84 177.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -99.69 91.21 4.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.126 0.489 . . . . 2.55 110.019 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.73 -132.52 11.2 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.639 -0.71 . . . . 1.64 111.996 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -89.64 -4.61 57.71 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.061 0.458 . . . . 2.87 110.949 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.0 p -134.45 160.1 39.03 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.166 -0.47 . . . . 1.64 109.936 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 50' ' ' LEU . 11.2 p -108.86 128.94 64.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 122.049 0.928 . . . . 0.63 109.983 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 59' ' ' GLN . 51.0 t-20 -71.88 121.61 19.34 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 106.686 -1.598 . . . . 2.33 106.686 172.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.751 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 30.4 m-85 -66.36 3.51 0.92 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.117 0.485 . . . . 0.82 110.872 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 57' ' ' ASN . 57.9 tt0 -72.43 -49.21 35.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.684 -1.228 . . . . 1.65 107.684 172.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 43.7 mmtm -60.38 -46.92 88.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.38 -1.282 . . . . 2.25 109.716 173.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -59.8 -47.46 85.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.379 -0.828 . . . . 0.62 111.659 -177.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.729 ' HB3' ' HG2' ' A' ' 174' ' ' ARG . 51.6 m -66.44 -46.21 77.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.732 0.301 . . . . 1.13 111.063 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.84 -45.23 90.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.99 110.948 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 m -71.28 -38.38 71.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 1.36 111.103 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.4 -46.16 84.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.729 0.3 . . . . 1.52 110.445 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.46 -50.74 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.82 110.679 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.62 -33.62 86.68 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.956 -0.565 . . . . 0.56 112.241 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.63 -44.73 95.54 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 110.367 -0.235 . . . . 1.16 110.367 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.518 HG21 ' HB1' ' A' ' 178' ' ' ALA . 86.6 t -60.86 -37.56 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.007 0.432 . . . . 1.54 110.412 177.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -64.16 -51.51 63.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.803 -0.635 . . . . 2.91 111.108 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.8 tt -72.7 -35.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.719 0.295 . . . . 1.22 111.275 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.499 ' OH ' ' HB2' ' A' ' 144' ' ' LYS . 68.4 t80 -58.48 -47.44 84.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.068 0.461 . . . . 0.86 110.799 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.412 HG21 ' HD2' ' A' ' 185' ' ' LYS . 25.0 p -75.71 -25.46 56.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.059 -0.519 . . . . 0.65 111.425 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.1 m -70.62 -36.86 73.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.878 0.37 . . . . 1.3 110.057 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -65.22 -46.88 78.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 1.69 111.669 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.918 HG21 ' HG ' ' A' ' 189' ' ' LEU . 12.7 p -62.38 -35.01 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.279 0.561 . . . . 0.78 109.995 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.5 -37.37 83.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 1.87 110.374 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.1 m -65.87 -31.12 71.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 1.25 111.262 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.517 HG11 ' SD ' ' A' ' 137' ' ' MET . 13.7 t -62.25 -50.22 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.491 -0.559 . . . . 1.4 109.491 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.99 78.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.7 -0.682 . . . . 1.45 110.741 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.3 m -61.37 -48.3 81.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.046 0.451 . . . . 1.96 110.593 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.76 -34.12 76.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 2.42 110.09 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.1 m -57.48 -41.68 81.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 3.15 110.172 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.04 -29.39 75.26 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.744 -0.662 . . . . 4.2 112.216 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -72.74 -32.65 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 4.88 110.214 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.498 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 98.5 mt -67.19 -44.02 80.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 5.71 109.995 175.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.45 -36.32 83.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.767 -0.652 . . . . 6.68 110.366 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -58.77 -47.95 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.694 . . . . 8.18 110.27 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.93 -34.16 89.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.078 -0.582 . . . . 8.78 112.383 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 93.6 mt -65.81 -56.05 13.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.73 0.3 . . . . 8.69 110.498 177.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.72 69.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.964 -0.562 . . . . 10.13 111.447 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -59.24 -38.45 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.041 -0.527 . . . . 12.11 111.121 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.4 m -90.97 4.71 51.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.178 -0.464 . . . . 11.17 111.02 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 90' ' ' LEU . 25.6 mmm180 -102.6 -0.62 31.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.391 -0.368 . . . . 11.37 110.788 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -83.5 136.76 34.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.95 0.405 . . . . 13.64 110.947 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t -135.57 16.38 3.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.696 -0.684 . . . . 13.75 109.535 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -80.48 -26.47 38.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.803 -0.635 . . . . 16.1 110.971 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -74.05 134.73 43.0 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.631 -0.507 . . . . 14.61 109.631 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -62.82 147.44 50.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.936 -0.394 . . . . 16.89 109.936 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.86 112.21 2.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.006 0.432 . . . . 14.47 110.677 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.6 mtp-105 -82.64 -41.3 19.61 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 109.221 -0.659 . . . . 17.73 109.221 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -131.03 129.57 42.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.969 -1.014 . . . . 14.83 109.72 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.55 -54.25 7.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.933 0.397 . . . . 16.07 110.538 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.83 -12.62 45.9 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.547 -0.835 . . . . 14.74 112.271 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.39 -78.43 1.32 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.724 -0.751 . . . . 15.53 111.757 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.65 -108.23 2.57 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.049 -0.596 . . . . 15.58 111.745 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.6 t -75.1 117.38 16.87 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.097 0.475 . . . . 15.74 109.86 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.48 179.29 40.47 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.83 -0.623 . . . . 16.77 112.809 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.22 17.16 69.96 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.789 -0.719 . . . . 17.08 112.224 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.6 m -78.81 111.28 14.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.964 -0.384 . . . . 17.9 109.964 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.0 mt -82.02 104.96 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.829 -0.623 . . . . 16.88 110.907 -175.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 112' ' ' ARG . 30.1 mtm180 -87.16 149.52 24.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.652 -0.704 . . . . 15.45 109.965 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -92.08 172.69 8.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.368 -0.378 . . . . 17.68 110.684 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -171.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.783 -0.644 . . . . 14.48 110.923 178.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 45.8 mt -58.83 101.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.083 0.468 . . . . 11.8 110.646 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -81.84 140.54 47.06 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.032 -0.531 . . . . 11.37 110.345 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.589 ' O ' ' HG2' ' A' ' 120' ' ' MET . 12.1 Cg_endo -55.14 -30.61 71.69 Favored 'Trans proline' 0 CA--C 1.527 0.163 0 C-N-CA 123.274 2.649 . . . . 10.68 112.988 -176.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -60.53 -20.79 61.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.866 0.321 . . . . 10.74 111.866 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.655 HG13 ' HD2' ' A' ' 212' ' ' ARG . 53.6 t -60.13 -46.17 94.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 8.53 110.881 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 117' ' ' PRO . 13.5 ptp -68.95 -32.88 72.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 8.74 110.504 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 43.9 m-80 -67.38 -24.04 65.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.652 -0.703 . . . . 7.33 111.471 -176.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 15.8 tpt -65.44 -37.85 88.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.238 0.542 . . . . 7.24 109.628 174.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.674 HD11 ' HG3' ' A' ' 212' ' ' ARG . 11.9 mt -70.83 -28.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.741 -0.663 . . . . 5.24 110.611 177.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' A' ' 121' ' ' ASN . 0.9 OUTLIER -52.53 -35.48 53.46 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.82 0.343 . . . . 4.69 111.163 175.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.6 m -67.7 -33.28 74.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.328 0.585 . . . . 4.02 110.398 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 130' ' ' GLU . 59.7 t -64.76 -40.97 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.503 -0.771 . . . . 3.81 110.029 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.493 ' HG2' HD11 ' A' ' 204' ' ' LEU . 41.9 mt-10 -56.7 -37.94 71.62 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.111 -0.495 . . . . 4.32 110.881 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -62.18 -39.07 91.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.825 -0.625 . . . . 4.42 110.646 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -67.23 -46.82 72.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.797 -0.638 . . . . 4.65 110.166 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.826 ' HG3' HD12 ' A' ' 204' ' ' LEU . 6.2 mm-40 -55.87 -50.23 71.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.659 -0.7 . . . . 3.16 110.512 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 67.1 mtt -61.78 -37.99 86.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.398 -0.819 . . . . 3.28 111.156 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 m -67.94 -34.57 76.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.673 -0.24 . . . . 1.58 110.773 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.429 HD21 HD11 ' A' ' 86' ' ' LEU . 4.1 mm? -68.03 -41.51 81.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.858 0.361 . . . . 1.83 110.496 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -61.37 -49.16 78.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.511 . . . . 3.67 110.047 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -61.97 -31.89 72.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.378 -0.828 . . . . 1.73 110.92 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 39.3 tpp -61.13 -53.21 59.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.188 -0.46 . . . . 1.05 110.072 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.517 ' SD ' HG11 ' A' ' 79' ' ' VAL . 87.1 mmm -65.58 -36.13 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.731 -0.668 . . . . 1.44 110.538 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.66 -39.64 81.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 3.44 110.199 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 68.6 m -65.83 -44.39 85.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.06 -0.518 . . . . 1.16 110.533 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.466 HG11 ' HB ' ' A' ' 76' ' ' VAL . 73.3 t -59.85 -46.25 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.017 0.437 . . . . 1.15 110.786 178.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 137' ' ' MET . 81.1 mt -65.65 -34.99 79.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 1.45 110.605 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.644 ' HG2' ' HE2' ' A' ' 146' ' ' LYS . 38.7 ttmt -61.3 -44.28 97.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.698 -0.683 . . . . 3.01 110.341 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.549 ' O ' HG13 ' A' ' 147' ' ' ILE . 1.1 m-20 -58.57 -41.17 85.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.127 -0.488 . . . . 1.64 110.537 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.499 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 37.4 ttpt -56.13 -47.76 77.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 1.8 111.317 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.464 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 37.7 m80 -61.88 -37.95 86.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.138 0.494 . . . . 0.84 110.083 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.644 ' HE2' ' HG2' ' A' ' 142' ' ' LYS . 68.0 mttm -67.08 -37.4 83.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.695 -0.684 . . . . 2.66 111.176 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 143' ' ' ASP . 72.5 mt -59.98 -48.01 89.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.768 -0.456 . . . . 0.59 109.768 175.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.41 -44.96 85.02 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.47 -0.786 . . . . 2.39 111.056 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 46.4 mt-10 -60.32 -44.91 95.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.105 0.479 . . . . 2.47 110.887 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.5 m -70.51 -43.45 69.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.901 -0.59 . . . . 0.71 112.095 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 34.5 pt -63.28 -33.48 61.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.682 -0.407 . . . . 1.05 110.201 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.05 95.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.335 -0.393 . . . . 0.49 110.602 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 37.3 m -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.057 0.456 . . . . 0.54 110.684 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.402 HD13 ' HB1' ' A' ' 61' ' ' ALA . 70.7 mt -64.56 -33.28 75.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.028 -0.533 . . . . 1.37 110.726 177.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.89 -31.81 71.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.966 -0.561 . . . . 0.78 109.927 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.13 -43.84 90.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.955 -0.566 . . . . 2.52 110.219 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -59.34 -40.78 87.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.92 110.368 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.526 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 27.6 ttpp -70.29 -20.59 63.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.922 -0.581 . . . . 1.93 110.891 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -84.85 -38.71 19.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.976 0.417 . . . . 3.78 110.257 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.19 -42.6 55.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.074 -0.512 . . . . 2.94 111.16 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -80.95 134.17 35.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.908 0.385 . . . . 1.97 110.938 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 37.5 m -81.27 -27.39 35.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.066 -0.516 . . . . 3.67 110.705 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 128.16 43.1 0.24 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.685 -0.769 . . . . 3.19 112.101 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -78.05 -86.09 0.48 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.779 -0.724 . . . . 2.95 111.937 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 50.2 m -94.3 -27.85 15.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.978 0.418 . . . . 3.61 110.865 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.428 ' HB1' ' CD2' ' A' ' 58' ' ' PHE . . . -81.62 127.19 32.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.138 -0.483 . . . . 3.62 110.209 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -78.26 75.25 1.95 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.062 -0.59 . . . . 1.32 112.011 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.526 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 24.5 p -59.05 -44.39 91.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.967 0.413 . . . . 1.5 111.342 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -68.03 -41.28 82.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.942 -0.572 . . . . 3.65 110.573 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 60.9 ttp -63.22 -44.75 94.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 1.37 110.573 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.751 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 83.1 t80 -67.04 -34.67 78.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.9 111.158 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -54.55 -56.08 22.67 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.293 0.568 . . . . 2.38 110.176 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 177' ' ' LYS . 19.4 t70 -67.62 -31.71 71.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 2.29 111.277 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.729 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 4.7 tpt180 -74.54 -39.56 62.25 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.956 -0.298 . . . . 3.45 110.867 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 22.2 ttmt -59.55 -55.58 32.75 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.861 0.362 . . . . 1.22 110.091 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.56 -33.6 74.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.809 -0.632 . . . . 1.35 110.933 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 173' ' ' ASP . 0.1 OUTLIER -66.26 -45.22 81.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 2.03 109.952 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.518 ' HB1' HG21 ' A' ' 69' ' ' VAL . . . -68.77 -39.71 80.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.832 -0.622 . . . . 0.91 110.769 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 80.5 mt -67.18 -28.26 67.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 1.63 111.115 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -69.28 -43.72 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.757 -0.46 . . . . 3.14 109.757 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 32.2 m -65.54 -36.87 85.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.24 0.543 . . . . 1.29 110.134 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 25.2 ttt -63.99 -40.9 97.43 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.63 -0.714 . . . . 0.66 110.315 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -69.32 -35.27 75.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.71 111.116 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -58.27 -55.93 28.58 Favored 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 123.293 0.637 . . . . 2.83 111.025 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.412 ' HD2' HG21 ' A' ' 73' ' ' THR . 90.0 mttt -77.36 -11.03 59.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.049 -0.523 . . . . 2.06 111.236 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 18.2 t70 -61.25 -33.71 73.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.25 -0.432 . . . . 1.16 110.334 177.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.37 -37.82 87.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.79 -0.641 . . . . 2.35 110.242 176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 192' ' ' ILE . 84.8 tttt -73.67 -42.32 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 2.76 110.171 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.918 ' HG ' HG21 ' A' ' 76' ' ' VAL . 9.5 tt -61.54 -51.16 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.957 -0.565 . . . . 1.24 110.856 -178.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.18 -34.68 78.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.016 -0.273 . . . . 2.24 110.614 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' GLU . . . . . 0.517 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 7.3 tp10 -60.22 -51.7 68.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 2.86 110.219 177.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 188' ' ' LYS . 85.1 mt -56.32 -45.56 81.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.149 -0.478 . . . . 1.24 110.58 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 11.0 m -57.17 -47.75 80.44 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.05 -0.523 . . . . 1.75 110.943 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -67.44 -46.26 73.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.792 -0.64 . . . . 3.84 110.725 -176.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 83.2 mt -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.804 0.335 . . . . 3.54 110.739 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.537 ' HA ' HD13 ' A' ' 200' ' ' ILE . 15.9 tp -57.26 -46.09 83.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.475 0.655 . . . . 3.31 109.934 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -78.08 -26.71 48.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.565 -0.743 . . . . 6.05 110.577 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' A' ' 195' ' ' LEU . 14.6 t70 -75.79 -51.54 12.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.369 -0.832 . . . . 4.3 112.26 -176.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.404 ' C ' ' HD2' ' A' ' 202' ' ' PRO . 43.0 tt0 -117.94 -35.88 3.77 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.025 0.38 . . . . 5.29 112.025 -172.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' A' ' 196' ' ' LEU . 2.0 mp -69.62 -40.43 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 111.801 0.297 . . . . 3.27 111.801 -174.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.505 ' HB2' ' HD3' ' A' ' 202' ' ' PRO . 31.0 mt-10 -68.68 -49.08 30.18 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 120.411 -0.516 . . . . 6.5 112.015 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 202' ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' ' 201' ' ' GLU . 39.6 Cg_exo -60.69 -16.34 42.9 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.088 1.859 . . . . 6.81 112.812 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 203' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 200' ' ' ILE . 1.7 tmmm? -52.69 -39.39 61.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.252 -0.431 . . . . 6.75 110.447 177.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.826 HD12 ' HG3' ' A' ' 130' ' ' GLU . 5.2 tt -67.59 -41.28 84.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.307 -0.406 . . . . 6.12 110.216 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.76 -43.05 94.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.086 -0.506 . . . . 9.31 110.901 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -71.74 -30.72 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.439 -0.346 . . . . 10.45 110.592 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.04 -47.36 85.49 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.254 0.55 . . . . 7.6 109.684 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -59.81 -44.26 94.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.067 -0.97 . . . . 9.48 110.226 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 55.8 tp60 -69.24 -49.77 53.26 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.195 0.443 . . . . 12.83 112.195 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.3 -54.73 15.47 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.039 0.385 . . . . 10.85 112.039 -175.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' LYS . . . . . 0.617 ' HD2' HD12 ' A' ' 215' ' ' LEU . 22.6 tptm -78.55 -57.08 3.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.907 0.384 . . . . 10.09 111.36 -173.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.674 ' HG3' HD11 ' A' ' 123' ' ' ILE . 27.1 mmt180 -83.24 -56.25 3.88 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.798 0.666 . . . . 12.5 112.798 -170.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 217' ' ' PHE . . . -59.41 -45.77 90.57 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.004 0.372 . . . . 13.01 112.004 -174.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -74.44 -54.21 8.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.373 -0.376 . . . . 13.47 111.522 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.617 HD12 ' HD2' ' A' ' 211' ' ' LYS . 94.6 mt -79.02 -60.64 2.3 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.392 0.516 . . . . 11.97 112.392 -173.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -78.79 -47.89 15.86 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.507 0.558 . . . . 12.73 112.507 -172.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' PHE . . . . . 0.498 ' HB3' ' O ' ' A' ' 213' ' ' ALA . 38.2 t80 -66.94 -53.91 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 13.81 111.247 -174.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -82.98 138.67 33.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.808 0.337 . . . . 15.46 111.09 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -70.08 160.53 31.86 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.605 -0.517 . . . . 15.41 109.605 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 50.6 p 50.83 85.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.774 0.671 . . . . 17.57 111.337 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.856 -0.592 . . . . 17.45 111.007 -176.833 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.098 -0.401 . . . . 21.3 112.098 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.1 m80 67.28 -81.82 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.197 0.599 . . . . 20.91 111.218 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 46.7 tpp -159.66 117.64 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.505 . . . . 18.53 109.956 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -122.97 160.89 25.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.411 -0.359 . . . . 17.71 110.678 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.65 118.16 7.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.309 -0.405 . . . . 14.57 110.697 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.84 139.23 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.097 -0.501 . . . . 12.18 110.535 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.446 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 7.4 p -61.4 130.81 92.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.096 -0.502 . . . . 9.93 111.257 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 7' ' ' THR . 4.1 Cg_exo -77.22 -8.84 17.64 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.193 2.596 . . . . 8.73 112.262 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.0 mmt -74.42 129.71 38.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.781 -0.645 . . . . 8.19 109.415 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 33.8 mmtp -81.94 -1.62 48.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.642 0.734 . . . . 6.67 110.754 -176.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -105.44 121.24 43.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.722 -1.126 . . . . 6.27 108.306 171.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -73.54 117.25 59.07 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-O 121.115 0.483 . . . . 3.08 110.969 -175.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.85 137.88 42.95 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.567 2.178 . . . . 1.71 111.499 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.581 HG13 HD21 ' A' ' 49' ' ' LEU . 34.9 pt -68.49 -16.94 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.563 -0.289 . . . . 2.27 111.31 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -61.03 -44.76 96.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.917 0.389 . . . . 2.13 110.234 170.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . . . -74.84 -29.59 61.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.74 -0.663 . . . . 1.02 110.435 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 2.7 t-20 -66.6 -43.33 85.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.707 -0.679 . . . . 2.23 110.0 174.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -71.69 -42.1 67.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 1.52 111.434 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.667 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 11.4 pt-20 -64.72 -32.45 74.14 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.903 -0.319 . . . . 2.43 110.173 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 24' ' ' MET . 7.0 tp10 -61.94 -46.39 89.51 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.332 -0.618 . . . . 1.99 109.332 175.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 39.3 m0 -59.91 -47.08 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.723 -0.671 . . . . 1.14 111.002 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.525 ' HA ' ' HE2' ' A' ' 22' ' ' MET . 29.6 mmt -59.59 -41.9 91.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 1.4 110.804 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -66.38 -50.64 62.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 3.34 110.524 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.569 ' HB2' ' HZ ' ' A' ' 38' ' ' PHE . 79.2 mtp -63.04 -34.97 78.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 1.35 111.597 -178.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.4 -49.94 61.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.75 0.31 . . . . 1.17 111.156 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 p -71.42 -36.36 71.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.332 -0.394 . . . . 1.45 111.856 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.91 -5.54 57.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.945 0.403 . . . . 2.5 110.841 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 63.55 25.45 14.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.627 0.727 . . . . 2.34 110.414 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 24.3 tptm -74.62 -20.52 59.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.935 -1.029 . . . . 3.29 109.423 176.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 tt -65.64 92.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.739 0.78 . . . . 0.81 110.771 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -75.48 168.36 20.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 2.15 110.294 174.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.09 76.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.623 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.48 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.792 0.293 . . . . 1.24 111.792 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.7 p30 -104.68 14.22 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.155 0.428 . . . . 1.45 112.155 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.0 p -65.98 -27.31 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.134 -1.061 . . . . 1.07 108.134 170.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -75.28 140.56 43.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.738 -1.119 . . . . 0.9 109.261 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 68.25 11.82 8.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.068 -0.969 . . . . 2.37 111.164 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' HZ ' ' HB2' ' A' ' 24' ' ' MET . 1.8 t80 -91.82 7.2 42.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.135 0.493 . . . . 1.61 110.167 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.21 122.03 20.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.357 0.599 . . . . 1.04 112.336 -172.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.55 -17.02 62.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.355 -0.839 . . . . 1.62 110.514 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.711 HD11 ' HA ' ' A' ' 147' ' ' ILE . 7.3 tp -57.13 -30.19 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 115.569 -0.741 . . . . 1.81 112.311 -172.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.92 -35.5 81.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.56 0.695 . . . . 2.45 110.092 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -83.18 -27.94 29.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.03 -0.986 . . . . 1.91 110.485 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' HD2' HD12 ' A' ' 41' ' ' ILE . 19.5 m-30 -63.0 -34.55 77.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 2.0 110.737 173.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -75.79 -57.15 4.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 1.33 110.735 175.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -84.61 85.26 7.44 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.184 -0.673 . . . . 2.94 109.184 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.53 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 63.1 mtt -71.29 83.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.807 -0.633 . . . . 1.99 111.88 -171.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -110.6 -44.14 3.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.668 -0.696 . . . . 3.73 109.293 172.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.581 HD21 HG13 ' A' ' 14' ' ' ILE . 89.7 mt -90.15 -33.03 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 2.19 111.2 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 56' ' ' VAL . 53.2 tp -76.34 -36.15 58.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.314 0.578 . . . . 3.39 110.398 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CB ' ' HB3' ' A' ' 47' ' ' MET . 27.2 ttpp -97.92 123.7 42.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 3.18 110.164 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.02 96.9 8.8 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.842 -0.799 . . . . 2.55 108.842 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.0 -115.47 4.37 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.937 -0.649 . . . . 1.64 111.629 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -118.32 10.34 12.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.879 0.371 . . . . 2.87 110.864 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.1 t -138.55 144.86 40.07 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.882 -0.784 . . . . 1.64 108.882 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 50' ' ' LEU . 14.4 p -95.91 131.19 43.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.719 0.771 . . . . 0.63 110.487 -178.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' HB2' ' HE3' ' A' ' 60' ' ' LYS . 12.0 m120 -84.15 106.26 15.65 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.752 -1.113 . . . . 2.33 108.603 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.638 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 94.3 m-85 -66.4 -7.31 18.45 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.827 -0.624 . . . . 0.82 111.163 -174.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -72.26 -57.34 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.089 -0.708 . . . . 1.65 109.089 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.526 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 18.5 ptpt -65.43 -30.65 71.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.4 -0.818 . . . . 2.25 109.954 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -62.15 -40.18 95.1 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.237 -0.438 . . . . 0.62 110.593 175.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m -62.16 -44.41 96.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.13 110.759 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.63 -46.13 70.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.985 -0.552 . . . . 0.99 110.937 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.8 p -68.33 -36.83 79.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.133 -0.485 . . . . 1.36 111.617 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -47.27 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.793 -0.447 . . . . 1.52 109.793 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.87 -40.06 91.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.031 0.444 . . . . 0.82 110.952 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.29 -45.35 80.81 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.481 -0.866 . . . . 0.56 111.916 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.425 ' HA ' HG12 ' A' ' 71' ' ' ILE . 33.0 t -64.94 -38.43 90.93 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.305 0.113 . . . . 1.16 111.305 -177.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.19 -36.31 72.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 120.701 -0.399 . . . . 1.54 110.786 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -68.11 -46.17 71.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.754 0.311 . . . . 2.91 110.665 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 42.9 pt -70.99 -32.98 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.958 -0.297 . . . . 1.22 110.952 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.586 ' HA ' ' HD3' ' A' ' 75' ' ' ARG . 74.6 t80 -57.63 -49.8 75.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.153 0.501 . . . . 0.86 110.289 175.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.9 p -70.46 -25.61 63.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.929 -0.578 . . . . 0.65 110.684 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.1 t -67.53 -26.97 66.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.106 0.479 . . . . 1.3 109.921 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HD3' ' HA ' ' A' ' 72' ' ' TYR . 65.5 mtp180 -73.32 -32.72 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.55 -0.537 . . . . 1.69 109.55 174.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.654 HG12 HD12 ' A' ' 192' ' ' ILE . 62.3 t -66.96 -37.23 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.911 -0.586 . . . . 0.78 109.579 172.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.26 -31.95 73.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.16 -0.473 . . . . 1.87 110.188 171.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -67.19 -46.44 73.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.606 . . . . 1.25 111.088 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG21 ' HG2' ' A' ' 137' ' ' MET . 7.3 p -64.85 -33.91 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.596 -0.442 . . . . 1.4 110.43 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' HA ' ' OG1' ' A' ' 83' ' ' THR . . . -70.16 -30.56 67.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.137 0.494 . . . . 1.45 110.621 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.456 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 88.6 m -65.45 -37.31 86.5 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.417 -0.586 . . . . 1.96 109.417 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.82 -43.09 76.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.674 -0.693 . . . . 2.42 110.676 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.881 HG22 HD11 ' A' ' 133' ' ' LEU . 63.7 p -66.22 -38.37 87.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.493 -0.321 . . . . 3.15 110.662 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.79 -34.06 80.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.222 -0.514 . . . . 4.2 112.641 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 81' ' ' THR . 94.9 mttt -65.39 -49.99 67.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.594 0.235 . . . . 4.88 110.928 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 87' ' ' LEU . 4.0 pp -73.63 -30.8 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.001 0.429 . . . . 5.71 110.366 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 86' ' ' LEU . 64.7 tp -57.51 -51.98 67.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.653 -0.703 . . . . 6.68 109.788 176.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -69.65 -35.11 74.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.635 -0.711 . . . . 8.18 110.746 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.11 -48.61 78.51 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.107 -0.568 . . . . 8.78 112.714 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 90' ' ' LEU . 3.9 mm? -76.61 -20.53 56.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 8.69 110.987 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.81 -32.12 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 10.13 110.45 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.48 -59.31 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 12.11 110.528 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 m -104.15 84.08 2.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.979 -0.555 . . . . 11.17 110.382 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -108.45 -38.1 5.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.865 -0.607 . . . . 11.37 110.404 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -89.28 -33.92 16.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.407 -0.361 . . . . 13.64 110.37 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.3 t 58.17 89.93 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 O-C-N 123.722 0.639 . . . . 13.75 111.206 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -77.85 -43.35 30.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.09 -0.505 . . . . 16.1 110.191 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -92.82 148.71 21.81 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.332 -0.618 . . . . 14.61 109.332 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.79 ' HA ' ' HE2' ' A' ' 214' ' ' PHE . 21.6 ptmt -81.06 140.36 35.16 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.61 -0.436 . . . . 16.89 110.275 177.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -70.27 144.42 51.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.298 -0.63 . . . . 14.47 109.298 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.59 92.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.382 0.611 . . . . 17.73 111.355 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.88 121.49 15.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.986 -1.007 . . . . 14.83 111.686 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.07 -45.25 91.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 16.07 110.805 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 142.21 88.92 0.12 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.579 -0.82 . . . . 14.74 112.185 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.56 -42.44 97.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.206 -0.521 . . . . 15.53 111.855 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.38 28.66 2.3 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.967 -0.635 . . . . 15.58 112.348 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -129.88 140.08 51.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.886 0.374 . . . . 15.74 110.598 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -121.31 51.5 0.78 Allowed Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.542 -0.623 . . . . 16.77 111.542 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 126.69 106.81 1.47 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.323 -0.711 . . . . 17.08 111.323 -176.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.2 t -93.89 26.11 3.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.3 0.572 . . . . 17.9 110.556 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.43 -56.32 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 16.88 110.207 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -110.15 -25.24 10.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.266 -0.424 . . . . 15.45 110.074 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -78.27 100.04 6.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 17.68 110.073 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 153.4 38.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.227 -0.442 . . . . 14.48 110.203 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.592 HG21 ' HD3' ' A' ' 212' ' ' ARG . 48.2 mm -64.52 122.19 14.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.323 -0.399 . . . . 11.8 110.555 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -78.11 149.72 76.74 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.88 -0.6 . . . . 11.37 110.087 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -58.11 -23.36 60.75 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.723 2.282 . . . . 10.68 111.796 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -53.13 -41.3 64.93 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.709 -0.678 . . . . 10.74 110.972 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.5 -25.89 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.122 0.487 . . . . 8.53 110.707 -177.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 23.5 mmt -70.15 -15.0 62.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.075 0.464 . . . . 8.74 110.586 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -70.6 -22.46 62.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.077 -0.511 . . . . 7.33 110.387 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 24.6 ttt -70.14 -36.38 74.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.614 -0.513 . . . . 7.24 109.614 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 126' ' ' VAL . 36.3 mm -60.16 -28.24 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 115.436 -0.802 . . . . 5.24 110.604 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 19.9 t70 -48.88 -29.99 5.32 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.667 -0.697 . . . . 4.69 112.227 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.7 p -54.48 -46.56 73.42 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.558 -0.292 . . . . 4.02 111.759 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.616 HG21 HD23 ' A' ' 207' ' ' LEU . 23.1 m -73.3 -32.7 38.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.764 0.316 . . . . 3.81 110.829 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.643 ' HG2' HD11 ' A' ' 204' ' ' LEU . 40.4 mt-10 -64.65 -32.4 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 4.32 110.501 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 124' ' ' ASP . 59.5 mtpt -58.78 -33.29 70.14 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.168 -0.469 . . . . 4.42 110.562 175.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.61 -44.87 73.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.529 . . . . 4.65 110.156 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 32.1 tt0 -64.36 -39.14 93.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 3.16 110.538 178.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 127' ' ' GLU . 65.5 mtt -60.48 -43.37 97.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.411 . . . . 3.28 110.932 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.2 t -61.52 -42.98 99.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.468 -0.567 . . . . 1.58 109.468 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.881 HD11 HG22 ' A' ' 83' ' ' THR . 1.6 tt -59.52 -43.54 93.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.564 -0.744 . . . . 1.83 109.896 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 66.7 mttm -56.69 -43.56 80.64 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 115.898 -0.592 . . . . 3.67 110.167 175.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -63.98 -45.48 88.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 1.73 110.909 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.62 ' HE2' ' HA ' ' A' ' 133' ' ' LEU . 0.9 OUTLIER -58.07 -49.9 75.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 1.05 110.777 177.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.49 ' HE3' ' HA ' ' A' ' 193' ' ' THR . 85.9 mtp -66.25 -39.28 89.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 1.44 111.39 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -58.21 -42.6 86.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 3.44 109.836 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 43.5 m -64.14 -38.08 89.78 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.356 -0.838 . . . . 1.16 110.971 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 136' ' ' MET . 71.8 t -55.61 -51.91 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 121.231 0.539 . . . . 1.15 110.866 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 64.8 mt -75.28 -26.81 59.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.087 -0.506 . . . . 1.45 111.504 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 146' ' ' LYS . 85.4 tttt -67.82 -41.69 82.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.319 -0.623 . . . . 3.01 109.319 174.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.444 ' HB3' ' HE1' ' A' ' 72' ' ' TYR . 11.6 t70 -62.27 -38.05 87.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.228 -0.897 . . . . 1.64 109.833 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.533 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 61.1 tttp -55.15 -45.79 75.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.503 -0.771 . . . . 1.8 110.844 177.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -63.48 -34.05 76.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.84 110.504 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 142' ' ' LYS . 5.4 mptp? -66.29 -37.67 85.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 2.66 110.352 175.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.711 ' HA ' HD11 ' A' ' 41' ' ' ILE . 63.1 mt -63.85 -50.57 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.59 110.173 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.4 -46.53 69.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.836 -0.62 . . . . 2.39 110.254 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.13 -47.04 78.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.268 -0.878 . . . . 2.47 110.978 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 73.8 m -64.0 -38.89 92.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.71 111.504 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 147' ' ' ILE . 77.9 mt -56.41 -51.4 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 1.05 110.645 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.73 -30.03 69.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 0.49 111.476 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 49.5 m -73.74 -46.49 45.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.423 -0.353 . . . . 0.54 111.234 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.85 -32.11 73.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 1.37 110.572 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.654 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 13.5 t70 -65.29 -35.86 82.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.78 109.915 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.467 ' OE2' ' HD2' ' A' ' 159' ' ' ARG . 4.7 mm-40 -59.56 -46.91 87.53 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.318 -0.401 . . . . 2.52 110.962 174.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -58.38 -36.95 74.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.988 0.423 . . . . 0.92 110.456 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.574 ' HA ' HG22 ' A' ' 168' ' ' THR . 47.1 tttm -66.02 -41.08 91.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.661 -0.699 . . . . 1.93 110.793 177.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.654 ' HG3' ' O ' ' A' ' 155' ' ' ASP . 95.1 mtt180 -63.4 -49.73 72.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.959 -0.564 . . . . 3.78 111.08 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -71.36 -44.58 64.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.03 -0.532 . . . . 2.94 110.69 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . 61.39 162.07 0.07 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.676 0.75 . . . . 1.97 112.523 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 15.0 m -125.09 83.2 2.13 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.898 -0.592 . . . . 3.67 109.476 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 62.94 -133.52 43.48 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.465 -0.654 . . . . 3.19 111.465 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -86.42 75.69 2.21 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.185 -0.766 . . . . 2.95 111.185 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 15.8 m -74.55 -35.71 63.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.397 0.141 . . . . 3.61 110.873 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . 71.62 -50.29 0.69 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.68 0.792 . . . . 3.62 112.238 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.83 -13.36 46.66 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.46 -0.336 . . . . 1.32 112.887 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.574 HG22 ' HA ' ' A' ' 158' ' ' LYS . 8.0 p -61.22 -42.33 98.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.969 0.414 . . . . 1.5 110.722 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.568 . . . . 3.65 109.872 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' MET . . . . . 0.434 ' HE2' ' HB3' ' A' ' 170' ' ' MET . 43.3 ttp -61.02 -37.86 84.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.725 -0.671 . . . . 1.37 111.045 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.481 ' HD2' ' HD2' ' A' ' 158' ' ' LYS . 84.2 t80 -61.15 -31.43 71.16 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.9 111.097 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.553 ' HB2' ' HE3' ' A' ' 158' ' ' LYS . 9.4 tp10 -62.01 -49.32 76.51 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.88 -0.415 . . . . 2.38 109.88 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.535 ' O ' ' HB2' ' A' ' 177' ' ' LYS . 42.4 m-20 -71.85 -34.15 69.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.871 -0.604 . . . . 2.29 111.196 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -69.94 -43.21 72.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.593 -0.276 . . . . 3.45 110.778 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.431 ' O ' HD13 ' A' ' 179' ' ' LEU . 35.0 ttpt -57.33 -55.22 37.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.021 -0.536 . . . . 1.22 110.482 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.474 ' HB2' ' HE2' ' A' ' 180' ' ' LYS . 10.0 pt-20 -62.43 -39.27 92.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.94 -0.304 . . . . 1.35 110.793 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 173' ' ' ASP . 6.7 tppt? -60.39 -50.42 73.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.003 0.43 . . . . 2.03 110.165 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -67.8 -42.86 80.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.837 -0.619 . . . . 0.91 111.247 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 175' ' ' LYS . 8.5 mp -65.64 -45.95 81.07 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.051 0.389 . . . . 1.63 112.051 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' A' ' 176' ' ' GLU . 68.2 mttm -67.58 -34.43 77.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.678 0.275 . . . . 3.14 110.963 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.4 m -74.29 -37.05 63.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.132 0.491 . . . . 1.29 110.053 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.2 ttt -65.53 -37.8 87.79 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.994 -0.548 . . . . 0.66 110.297 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -59.7 -28.6 67.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.71 111.395 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -71.93 -42.83 66.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.976 0.417 . . . . 2.83 110.566 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -76.58 -23.77 53.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.099 0.476 . . . . 2.06 110.375 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.18 -29.98 69.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.637 -0.71 . . . . 1.16 110.025 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 89.0 mt -66.24 -38.68 88.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.123 0.487 . . . . 2.35 109.697 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' LYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 191' ' ' GLU . 77.0 tttt -67.21 -38.58 85.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.478 -0.783 . . . . 2.76 110.095 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.43 -51.8 67.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.695 -0.684 . . . . 1.24 109.44 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -61.63 -31.3 71.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.935 -0.575 . . . . 2.24 111.138 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 29.9 tt0 -60.48 -54.27 47.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.816 -0.439 . . . . 2.86 109.816 175.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 192' ' ' ILE . . . . . 0.654 HD12 HG12 ' A' ' 76' ' ' VAL . 62.1 mt -62.25 -42.48 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.717 -0.674 . . . . 1.24 111.132 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.49 ' HA ' ' HE3' ' A' ' 137' ' ' MET . 75.2 p -67.29 -41.04 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.823 -0.351 . . . . 1.75 111.245 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.86 -44.44 80.95 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.223 -0.444 . . . . 3.84 110.409 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 84.9 mt -66.45 -48.55 69.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.29 -0.414 . . . . 3.54 110.903 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.788 HD21 HG21 ' A' ' 83' ' ' THR . 0.3 OUTLIER -55.63 -46.2 77.46 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.024 0.379 . . . . 3.31 112.024 -174.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -57.47 -26.56 61.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.073 0.463 . . . . 6.05 111.26 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -100.16 -20.46 15.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.096 -0.502 . . . . 4.3 111.173 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.566 ' O ' ' HD2' ' A' ' 202' ' ' PRO . 1.0 OUTLIER -92.83 -45.36 8.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.162 -0.472 . . . . 5.29 112.193 -170.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 196' ' ' LEU . 9.9 tp -71.59 -32.84 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.694 0.283 . . . . 3.27 111.685 -173.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 205' ' ' GLU . 33.5 tt0 -62.86 -50.29 78.02 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 112.441 0.534 . . . . 6.5 112.441 -174.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 202' ' ' PRO . . . . . 0.566 ' HD2' ' O ' ' A' ' 199' ' ' GLU . 41.4 Cg_exo -58.05 -28.48 83.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 C-N-CA 122.01 1.807 . . . . 6.81 112.853 -178.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 203' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' A' ' 199' ' ' GLU . 0.9 OUTLIER -71.86 -33.72 68.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 6.75 110.247 179.635 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.643 HD11 ' HG2' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -74.47 -48.31 28.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.003 -0.74 . . . . 6.12 109.003 175.063 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 201' ' ' GLU . 10.3 mm-40 -54.15 -51.33 64.61 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.238 -0.892 . . . . 9.31 111.493 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 206' ' ' LYS . 10.8 ptmm? -63.19 -41.12 99.15 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 120.764 -0.374 . . . . 10.45 111.024 -177.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.616 HD23 HG21 ' A' ' 126' ' ' VAL . 21.1 tp -60.83 -43.03 98.82 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.688 0.28 . . . . 7.6 110.811 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -58.06 -50.2 74.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.879 -0.6 . . . . 9.48 110.445 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.5 -50.55 36.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.348 0.594 . . . . 12.83 111.714 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.82 -46.98 79.69 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.065 -0.971 . . . . 10.85 112.365 -171.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 211' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -65.67 -28.18 68.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.819 0.343 . . . . 10.09 110.719 -174.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.592 ' HD3' HG21 ' A' ' 115' ' ' ILE . 7.8 mmp_? -77.72 -44.71 26.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.074 0.464 . . . . 12.5 110.279 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.664 ' O ' ' HB2' ' A' ' 217' ' ' PHE . . . -70.13 -32.99 71.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.01 -0.541 . . . . 13.01 111.436 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.79 ' HE2' ' HA ' ' A' ' 99' ' ' LYS . 52.3 t80 -76.63 -54.66 6.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.554 -0.294 . . . . 13.47 111.483 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 63.4 mt -78.59 -53.05 7.61 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.575 0.583 . . . . 11.97 112.575 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -77.38 -58.42 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.631 0.253 . . . . 12.73 111.632 -174.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 217' ' ' PHE . . . . . 0.664 ' HB2' ' O ' ' A' ' 213' ' ' ALA . 30.8 m-85 -54.59 -59.18 5.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.246 0.546 . . . . 13.81 110.987 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -93.43 38.75 1.05 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.682 -0.69 . . . . 15.46 111.097 -175.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -54.12 -56.2 20.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.526 -0.761 . . . . 15.41 111.488 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 20.0 p -93.45 80.26 4.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.959 -0.564 . . . . 17.57 110.993 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 C--O 1.252 1.189 0 CA-C-N 115.923 -0.581 . . . . 17.45 111.099 178.652 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.765 -0.534 . . . . 21.3 111.765 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -151.61 -58.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 20.91 110.741 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 89.3 mtp -76.92 -29.82 55.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.445 -0.343 . . . . 18.53 110.988 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 67.09 10.92 8.08 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.295 0.569 . . . . 17.71 111.199 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 115.56 21.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.138 -0.483 . . . . 14.57 110.634 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -89.37 96.18 5.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.058 0.456 . . . . 12.18 110.019 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 p -104.14 145.67 31.11 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.894 -0.594 . . . . 9.93 111.509 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -82.41 6.18 5.9 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.84 2.36 . . . . 8.73 112.647 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.8 mmt -73.53 141.61 46.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 8.19 110.708 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -83.05 176.12 9.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.585 . . . . 6.67 111.063 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -78.18 177.34 8.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.082 -0.508 . . . . 6.27 110.088 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 59.8 t -79.93 119.78 77.77 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.501 -0.318 . . . . 3.08 110.148 178.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 19.4 Cg_exo -65.96 135.03 39.35 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.622 2.215 . . . . 1.71 111.491 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.53 -37.54 78.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.422 -0.354 . . . . 2.27 111.218 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 79.8 mt -57.15 -47.78 80.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 2.13 110.329 174.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.35 -34.59 74.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 1.02 110.78 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -59.41 -45.18 92.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.989 -0.55 . . . . 2.23 110.468 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -69.42 -40.21 77.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 1.52 110.825 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 49.7 mt-10 -62.9 -38.9 92.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 2.43 110.621 177.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 24' ' ' MET . 35.5 tt0 -65.6 -37.7 87.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.927 -0.579 . . . . 1.99 109.96 177.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -61.65 -40.05 93.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.931 -0.577 . . . . 1.14 110.673 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.5 mmt -63.18 -38.17 90.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 1.4 110.289 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -64.01 -43.9 94.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 3.34 110.177 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.482 ' HA ' ' HB2' ' A' ' 29' ' ' LYS . 95.4 mmm -60.07 -43.46 95.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 1.35 110.471 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.31 -55.53 10.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 1.17 112.107 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -65.31 -42.8 92.66 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.998 0.37 . . . . 1.45 111.998 -174.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.94 2.25 43.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.317 0.579 . . . . 2.5 110.378 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 59.82 31.32 20.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.3 -0.864 . . . . 2.34 111.38 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 24' ' ' MET . 14.4 mmmm -80.09 -16.3 55.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 3.29 110.288 177.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.428 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 10.4 tt -73.03 107.73 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-O 121.727 0.775 . . . . 0.81 109.964 176.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -102.11 -166.68 1.31 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.589 -0.732 . . . . 2.15 109.047 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.56 -51.27 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -172.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.66 -31.08 70.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.986 0.422 . . . . 1.24 111.763 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 30' ' ' ILE . 8.0 p30 -109.89 14.81 23.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.333 -0.394 . . . . 1.45 110.86 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.406 ' HA ' HD11 ' A' ' 30' ' ' ILE . 22.8 t -71.17 -23.48 62.06 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.131 -1.063 . . . . 1.07 108.131 170.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -87.19 156.92 19.48 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.768 -1.105 . . . . 0.9 109.723 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 70.88 1.65 3.86 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.554 0.741 . . . . 2.37 110.825 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' HB3' HD11 ' A' ' 71' ' ' ILE . 16.0 m-85 -111.07 90.33 3.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.082 -0.508 . . . . 1.61 110.195 175.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.61 118.82 25.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.482 . . . . 1.04 110.322 173.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.6 mt -73.13 -17.7 61.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.628 -0.715 . . . . 1.62 110.96 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.7 -37.65 54.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.5 -0.773 . . . . 1.81 111.778 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.0 -36.77 75.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 2.45 110.734 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.527 ' HD2' ' HG ' ' A' ' 49' ' ' LEU . 94.9 m-85 -83.91 -31.85 25.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.078 -0.51 . . . . 1.91 111.56 -178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.421 ' CD1' HG21 ' A' ' 150' ' ' THR . 24.4 m-85 -67.28 -42.03 84.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.702 -0.226 . . . . 2.0 111.587 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -75.88 -23.62 55.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.555 -0.293 . . . . 1.33 111.07 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.29 -52.91 9.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 2.94 109.989 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.2 mtt 69.35 -49.48 0.61 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.163 -0.926 . . . . 1.99 112.692 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.589 ' HA ' ' HB3' ' A' ' 51' ' ' LYS . 8.5 t -54.05 -23.95 15.48 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.261 0.624 . . . . 3.73 112.185 -172.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.527 ' HG ' ' HD2' ' A' ' 43' ' ' TYR . 2.8 tm? -48.75 -50.45 33.78 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.911 0.386 . . . . 2.19 110.201 173.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 49' ' ' LEU . 66.8 mt -121.41 26.06 9.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 3.39 110.911 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.589 ' HB3' ' HA ' ' A' ' 48' ' ' SER . 49.3 tttm -118.6 127.71 53.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.287 -0.415 . . . . 3.18 109.892 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -110.42 113.07 25.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.259 -0.428 . . . . 2.55 110.746 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.29 -106.45 2.1 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 121.054 -0.593 . . . . 1.64 112.399 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -119.72 -24.76 6.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.856 0.36 . . . . 2.87 110.7 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.0 t -94.15 170.61 9.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.099 0.476 . . . . 1.64 110.602 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.16 135.22 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.86 -0.609 . . . . 0.63 110.08 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -66.76 103.96 1.22 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.064 -0.516 . . . . 2.33 109.735 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.489 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 86.0 m-85 -70.04 -9.63 55.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.918 -0.583 . . . . 0.82 110.355 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.585 ' HA ' ' HE1' ' A' ' 170' ' ' MET . 17.4 tm0? -71.09 -58.88 3.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.764 -0.828 . . . . 1.65 108.764 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -68.68 -28.34 66.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.354 -0.839 . . . . 2.25 110.244 177.493 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -66.09 -47.06 75.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.62 111.31 -176.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.682 ' HB2' ' HG2' ' A' ' 174' ' ' ARG . 19.4 p -69.39 -35.95 76.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.005 0.431 . . . . 1.13 110.331 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.1 t -61.05 -50.81 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.656 -0.702 . . . . 0.99 110.334 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.0 p -66.66 -28.6 68.6 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.212 -0.449 . . . . 1.36 111.252 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.95 -44.39 76.88 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.767 -0.457 . . . . 1.52 109.767 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.39 -42.61 98.81 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.159 0.504 . . . . 0.82 110.351 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.23 -32.99 86.04 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.832 -0.699 . . . . 0.56 111.822 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.638 ' HA ' HG22 ' A' ' 71' ' ' ILE . 49.8 t -64.01 -38.01 89.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.623 0.249 . . . . 1.16 110.549 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.81 -39.9 85.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.29 0.566 . . . . 1.54 110.087 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -68.41 -50.98 48.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.792 -0.64 . . . . 2.91 110.924 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.657 HD11 ' HB3' ' A' ' 38' ' ' PHE . 15.2 tt -65.64 -33.72 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 1.22 110.845 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.501 ' HE1' ' O ' ' A' ' 140' ' ' VAL . 76.2 t80 -54.05 -54.72 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.86 110.352 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.897 HG21 ' HB3' ' A' ' 185' ' ' LYS . 25.4 p -75.69 -24.91 56.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.017 -0.538 . . . . 0.65 111.833 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -62.54 -40.27 96.28 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.659 -0.496 . . . . 1.3 109.659 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 79' ' ' VAL . 88.4 mtm180 -67.05 -41.13 87.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.953 -0.567 . . . . 1.69 110.322 176.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.643 HG12 HD12 ' A' ' 192' ' ' ILE . 90.8 t -57.62 -42.17 80.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.19 0.519 . . . . 0.78 110.404 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.87 -42.58 94.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.654 -0.703 . . . . 1.87 110.572 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.2 m -63.75 -31.43 72.6 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.87 -0.605 . . . . 1.25 110.985 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.545 HG12 HG23 ' A' ' 83' ' ' THR . 41.0 t -62.76 -41.62 93.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.248 -0.433 . . . . 1.4 109.99 175.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.7 -24.5 67.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.588 0.588 . . . . 1.45 112.588 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.4 m -74.01 -46.27 44.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.467 0.651 . . . . 1.96 109.634 171.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.827 ' HB3' HD21 ' A' ' 133' ' ' LEU . 1.8 tp10 -77.71 -20.14 54.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.212 -0.904 . . . . 2.42 111.399 -173.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.902 HG21 HD22 ' A' ' 196' ' ' LEU . 1.0 OUTLIER -57.85 -29.51 65.04 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.209 -0.307 . . . . 3.15 111.571 -178.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.716 ' HA2' ' HB ' ' A' ' 200' ' ' ILE . . . -56.29 -30.78 58.73 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.99 -0.624 . . . . 4.2 112.107 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 50.8 mmtt -67.99 -29.12 68.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.648 0.261 . . . . 4.88 110.65 -177.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.922 ' HG ' HD13 ' A' ' 133' ' ' LEU . 49.8 mt -53.94 -35.24 61.52 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.989 0.737 . . . . 5.71 112.989 -174.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.576 HD23 ' HB3' ' A' ' 204' ' ' LEU . 53.2 tp -52.63 -42.62 64.8 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.781 0.289 . . . . 6.68 111.781 -175.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.953 ' HB2' ' HG2' ' A' ' 127' ' ' GLU . 71.7 p -60.39 -47.32 86.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.317 -0.402 . . . . 8.18 110.985 -177.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.5 -44.01 74.72 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.925 -0.655 . . . . 8.78 112.214 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.05 -42.4 90.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 8.69 110.741 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.32 -38.56 81.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 10.13 110.871 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.23 -46.63 76.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 12.11 110.789 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.8 m -63.27 -38.25 90.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.356 -0.383 . . . . 11.17 110.805 178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -67.32 -37.55 83.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 11.37 111.028 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.05 -76.77 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.188 -0.46 . . . . 13.64 110.461 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m 52.1 23.81 2.44 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.258 0.836 . . . . 13.75 113.258 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -129.81 139.4 51.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.231 -0.293 . . . . 16.1 110.405 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.9 tttm 55.73 86.51 0.06 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.238 0.542 . . . . 14.61 110.542 -172.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.56 146.28 42.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.949 -0.569 . . . . 16.89 109.869 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -77.53 161.34 27.97 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.106 -0.497 . . . . 14.47 110.293 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.414 ' HE ' ' HB2' ' A' ' 101' ' ' ARG . 36.1 mtm180 -65.99 -51.34 59.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.423 0.63 . . . . 17.73 109.426 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.78 132.97 52.14 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.745 -1.116 . . . . 14.83 110.38 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -92.91 -32.03 14.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.249 0.547 . . . . 16.07 109.74 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -168.48 178.85 41.81 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.401 -0.818 . . . . 14.74 111.654 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.04 -164.66 29.97 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.992 -0.623 . . . . 15.53 112.031 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.67 109.11 2.72 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.865 -0.683 . . . . 15.58 111.902 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.5 t -76.02 116.81 17.08 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.701 -0.481 . . . . 15.74 109.701 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -175.13 97.65 0.12 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 121.126 -0.559 . . . . 16.77 111.994 -177.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.425 ' HA2' ' ND2' ' A' ' 116' ' ' ASN . . . 174.02 52.89 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.023 -0.608 . . . . 17.08 111.801 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.0 t -165.2 -34.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.031 0.443 . . . . 17.9 110.331 -177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.58 -57.88 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.807 -0.633 . . . . 16.88 110.978 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 112' ' ' ARG . 13.5 ptt180 -112.62 160.96 17.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.21 -0.45 . . . . 15.45 110.172 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -103.84 3.0 33.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.224 0.535 . . . . 17.68 110.686 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.516 ' HD3' ' HZ ' ' A' ' 217' ' ' PHE . 24.1 mttp -72.99 -162.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.576 0.703 . . . . 14.48 111.641 173.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.492 HG22 ' HD2' ' A' ' 214' ' ' PHE . 82.9 mt -61.17 119.43 5.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.816 -1.084 . . . . 11.8 110.817 174.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.425 ' ND2' ' HA2' ' A' ' 109' ' ' GLY . 91.5 m-20 -95.12 153.3 39.8 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.295 -0.411 . . . . 11.37 111.002 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.13 -22.58 73.1 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.621 2.214 . . . . 10.68 112.435 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.448 ' HA ' HD22 ' A' ' 121' ' ' ASN . 51.5 mtmt -70.95 -10.66 60.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.573 -0.285 . . . . 10.74 111.721 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.6 t -61.78 -36.69 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 8.53 110.067 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.3 mtm -73.36 -27.6 61.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 8.74 110.268 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.448 HD22 ' HA ' ' A' ' 118' ' ' LYS . 21.5 m-80 -68.65 -32.08 71.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.9 -0.591 . . . . 7.33 110.565 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 26.3 mmt -61.73 -42.95 99.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 7.24 109.781 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.463 ' O ' ' HG3' ' A' ' 127' ' ' GLU . 59.8 mt -71.0 -33.36 51.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.558 -0.746 . . . . 5.24 111.159 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 29.1 t70 -56.45 -37.11 69.83 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.037 0.446 . . . . 4.69 110.662 177.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.4 t -68.78 -36.46 78.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.81 -0.632 . . . . 4.02 110.402 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 207' ' ' LEU . 73.5 t -60.99 -43.89 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.746 -0.661 . . . . 3.81 110.52 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.953 ' HG2' ' HB2' ' A' ' 88' ' ' SER . 44.0 mt-10 -61.93 -34.39 76.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.774 -0.648 . . . . 4.32 111.234 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 124' ' ' ASP . 41.7 mmtm -71.3 -31.27 67.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.014 -0.539 . . . . 4.42 111.16 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -61.03 -27.99 68.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.032 -0.531 . . . . 4.65 111.91 -174.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.3 OUTLIER -56.08 -29.42 60.52 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.669 0.271 . . . . 3.16 111.355 -178.209 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.847 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 71.5 mtm -67.56 -40.38 84.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.838 0.351 . . . . 3.28 110.7 -178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -72.95 -31.01 64.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.134 0.492 . . . . 1.58 109.794 174.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.922 HD13 ' HG ' ' A' ' 86' ' ' LEU . 8.1 mt -62.65 -45.65 91.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.798 -0.637 . . . . 1.83 112.628 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.847 ' HE2' ' HA ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -59.82 -38.28 81.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.328 -0.619 . . . . 3.67 109.328 177.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.3 -45.47 84.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.658 -0.701 . . . . 1.73 110.524 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.666 ' HE2' ' HA ' ' A' ' 133' ' ' LEU . 73.1 mtm -66.96 -43.28 83.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.697 -0.229 . . . . 1.05 111.522 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.532 ' O ' HG22 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -60.65 -46.55 89.9 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.059 0.457 . . . . 1.44 110.491 175.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -66.63 -25.31 66.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 3.44 110.956 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.597 ' HA ' ' HE3' ' A' ' 142' ' ' LYS . 23.2 m -64.75 -48.08 75.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.447 -0.342 . . . . 1.16 111.052 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 137' ' ' MET . 18.3 m -64.67 -33.41 63.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.175 -0.61 . . . . 1.15 110.122 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 53.0 mt -74.19 -40.52 62.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.968 0.359 . . . . 1.45 111.968 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.597 ' HE3' ' HA ' ' A' ' 139' ' ' THR . 22.1 pttp -69.96 -39.91 75.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.013 -0.366 . . . . 3.01 110.013 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.52 ' O ' HG13 ' A' ' 147' ' ' ILE . 1.4 m-20 -64.76 -32.41 74.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.973 -0.558 . . . . 1.64 110.145 176.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.563 ' HB3' ' O ' ' A' ' 141' ' ' LEU . 58.9 tttp -53.87 -53.15 56.57 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.064 -0.516 . . . . 1.8 110.289 173.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 149' ' ' GLU . 36.2 m80 -62.77 -41.13 99.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.741 -0.663 . . . . 0.84 110.293 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 74.1 mmtt -60.2 -41.82 93.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 2.66 111.557 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 143' ' ' ASP . 81.8 mt -62.59 -46.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.954 -0.387 . . . . 0.59 109.954 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -54.74 -44.84 73.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 2.39 110.649 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 145' ' ' HIS . 71.9 mm-40 -60.25 -42.75 95.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.903 -0.59 . . . . 2.47 110.859 177.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.421 HG21 ' CD1' ' A' ' 44' ' ' PHE . 33.1 m -63.57 -44.94 92.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.774 -0.648 . . . . 0.71 111.0 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 147' ' ' ILE . 69.8 mt -59.79 -41.92 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 1.05 110.618 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.92 -34.21 76.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.409 . . . . 0.49 111.264 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.723 ' O ' ' HG2' ' A' ' 156' ' ' GLU . 76.0 m -73.4 -45.0 57.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.54 111.25 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.444 HD23 ' CE1' ' A' ' 171' ' ' PHE . 15.8 tp -66.18 -28.11 68.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.551 0.691 . . . . 1.37 109.549 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.19 -38.6 78.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.21 -0.905 . . . . 0.78 111.463 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.723 ' HG2' ' O ' ' A' ' 153' ' ' THR . 9.5 pt-20 -70.93 -23.81 62.32 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.959 0.409 . . . . 2.52 110.283 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -69.68 -33.66 72.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.467 -0.333 . . . . 0.92 110.482 172.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.615 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 63.1 tttt -71.51 -21.74 61.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.54 0.686 . . . . 1.93 109.86 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.98 -48.86 27.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.649 -0.705 . . . . 3.78 110.555 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -75.1 -36.43 61.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.866 0.365 . . . . 2.94 110.869 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -109.89 98.3 7.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 1.97 109.836 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 7.1 p -64.87 -41.77 95.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.734 -0.666 . . . . 3.67 111.721 -175.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -129.13 -36.38 0.43 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.623 -0.799 . . . . 3.19 112.761 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 61.48 -114.38 6.65 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.931 -0.868 . . . . 2.95 110.931 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.5 t -110.56 -54.55 2.57 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.478 -0.934 . . . . 3.61 108.478 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -173.1 132.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.267 -0.879 . . . . 3.62 109.63 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 140.97 -30.37 2.27 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.231 -0.985 . . . . 1.32 112.891 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.615 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 39.2 p -64.34 -44.06 92.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 1.5 111.46 -176.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -72.38 -33.65 67.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.87 0.367 . . . . 3.65 110.527 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' MET . . . . . 0.585 ' HE1' ' HA ' ' A' ' 59' ' ' GLN . 13.9 tmm? -69.3 -33.3 72.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 1.37 110.27 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.444 ' CE1' HD23 ' A' ' 154' ' ' LEU . 44.5 t80 -58.25 -34.29 70.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.123 -0.49 . . . . 0.9 110.525 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.12 -44.41 79.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.07 0.462 . . . . 2.38 110.144 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.12 -35.54 81.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.352 -0.84 . . . . 2.29 110.4 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.682 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 20.6 tpp180 -75.44 -39.07 59.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.059 -0.519 . . . . 3.45 111.115 176.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -54.88 -50.82 67.78 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.002 0.189 . . . . 1.22 111.273 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -55.95 -38.81 70.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.406 -0.361 . . . . 1.35 111.181 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -80.01 -42.13 24.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.027 0.441 . . . . 2.03 110.862 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.05 75.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.927 -0.579 . . . . 0.91 110.784 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.471 HD11 HD13 ' A' ' 151' ' ' ILE . 10.9 mp -67.71 -32.98 74.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 1.63 110.856 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.0 -49.18 77.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.117 0.484 . . . . 3.14 110.23 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 25.6 m -69.62 -40.66 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.461 -0.79 . . . . 1.29 110.665 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 27.4 ttt -63.06 -35.48 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.66 110.839 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -63.6 -45.96 87.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.068 0.461 . . . . 0.71 110.703 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.497 ' HA ' HD12 ' A' ' 187' ' ' LEU . 13.6 mmmm -67.86 -37.59 82.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.846 -0.615 . . . . 2.83 110.926 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.897 ' HB3' HG21 ' A' ' 73' ' ' THR . 67.4 mmtt -70.75 -31.39 68.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.97 -0.559 . . . . 2.06 111.292 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.38 -36.39 81.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.135 0.493 . . . . 1.16 109.898 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 184' ' ' LYS . 81.6 mt -61.44 -34.31 75.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.746 -0.661 . . . . 2.35 110.297 174.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 188' ' ' LYS . 2.7 mmmp? -72.85 -33.73 66.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 2.76 110.296 177.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 21.0 tp -62.63 -46.7 87.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 1.24 109.94 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.42 -43.59 88.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 2.24 110.034 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.53 -44.43 85.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.781 -0.645 . . . . 2.86 110.806 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' ILE . . . . . 0.643 HD12 HG12 ' A' ' 76' ' ' VAL . 10.8 mt -58.8 -43.33 87.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 1.24 111.841 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.418 ' HA ' HD23 ' A' ' 196' ' ' LEU . 82.1 p -61.97 -46.06 90.93 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.002 0.43 . . . . 1.75 111.301 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.79 -32.59 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.122 -0.49 . . . . 3.84 110.736 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.0 tp -70.09 -49.68 48.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.908 -0.587 . . . . 3.54 110.667 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.902 HD22 HG21 ' A' ' 83' ' ' THR . 1.7 pp -58.38 -34.83 71.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 3.31 110.306 -178.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -46.43 -42.18 14.86 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.511 0.507 . . . . 6.05 111.183 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' ASP . . . . . 0.419 ' O ' ' HD2' ' A' ' 202' ' ' PRO . 59.9 m-20 -94.93 -43.53 8.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.099 -0.5 . . . . 4.3 110.443 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.432 ' HG2' ' HE3' ' A' ' 203' ' ' LYS . 40.5 tt0 -64.28 -40.52 96.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.558 0.947 . . . . 5.29 113.558 -169.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.776 HG21 ' HB ' ' A' ' 83' ' ' THR . 24.1 pt -70.82 -25.76 26.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.787 0.327 . . . . 3.27 111.471 -172.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.412 ' HB3' ' CD ' ' A' ' 202' ' ' PRO . 45.8 tt0 -58.08 -60.63 9.47 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-N 115.878 -0.601 . . . . 6.5 111.545 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 202' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 198' ' ' ASP . 38.3 Cg_endo -67.48 -22.64 44.75 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.664 1.576 . . . . 6.81 112.119 175.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 203' ' ' LYS . . . . . 0.432 ' HE3' ' HG2' ' A' ' 199' ' ' GLU . 40.6 ttmt -64.73 -50.57 66.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.012 -0.54 . . . . 6.75 110.779 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.606 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 9.5 tt -75.31 -27.26 59.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.545 0.212 . . . . 6.12 110.524 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 209' ' ' GLN . 27.9 tt0 -54.11 -23.92 15.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.059 -0.519 . . . . 9.31 112.258 -173.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.532 ' HG3' HD12 ' A' ' 207' ' ' LEU . 0.0 OUTLIER -59.4 -37.76 78.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 120.839 -0.344 . . . . 10.45 110.378 175.029 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.532 HD12 ' HG3' ' A' ' 206' ' ' LYS . 9.0 mp -74.95 -39.52 61.29 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.995 0.426 . . . . 7.6 110.395 174.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -58.95 -40.75 85.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 9.48 110.152 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 205' ' ' GLU . 16.1 mm100 -61.44 -35.19 76.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.638 -0.71 . . . . 12.83 111.079 177.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 210' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 206' ' ' LYS . 45.6 mt-10 -66.57 -40.41 88.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.503 -0.317 . . . . 10.85 110.837 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 211' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.5 -41.63 88.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.175 0.512 . . . . 10.09 109.654 176.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -62.35 -39.13 92.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.565 -0.743 . . . . 12.5 110.375 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.6 79.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.708 -0.678 . . . . 13.01 111.193 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.492 ' HD2' HG22 ' A' ' 115' ' ' ILE . 84.1 t80 -67.6 -39.69 84.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 13.47 110.083 177.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.13 -33.76 76.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.772 -0.649 . . . . 11.97 110.745 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.27 -44.42 29.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 12.73 110.322 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 217' ' ' PHE . . . . . 0.516 ' HZ ' ' HD3' ' A' ' 114' ' ' LYS . 76.7 t80 -54.74 -50.49 68.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.243 -0.889 . . . . 13.81 111.136 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -79.66 78.07 6.24 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.108 0.48 . . . . 15.46 110.168 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -80.76 -45.18 17.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.579 -0.737 . . . . 15.41 110.437 -176.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 24.9 p -85.07 94.22 8.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.3 0.571 . . . . 17.57 110.208 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.525 -0.75 . . . . 17.45 110.391 -178.657 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.96 -0.456 . . . . 21.3 111.96 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -100.59 -59.28 1.73 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.971 0.415 . . . . 20.91 109.958 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.9 ttp -120.91 125.21 46.86 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.827 -0.624 . . . . 18.53 109.835 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -76.4 101.05 5.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.396 -0.365 . . . . 17.71 110.084 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.16 -173.66 0.12 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.691 0.62 . . . . 14.57 111.379 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t -111.78 94.3 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.172 -0.467 . . . . 12.18 109.8 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 35.4 p -92.03 138.49 24.6 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.254 -0.43 . . . . 9.93 110.481 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 7' ' ' THR . 38.9 Cg_exo -60.81 -27.09 84.25 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.972 2.448 . . . . 8.73 112.208 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.9 ttt 60.66 91.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.101 -0.954 . . . . 8.19 110.985 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 tptt 62.97 93.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.146 -0.934 . . . . 6.67 111.713 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -98.64 144.0 28.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.467 -0.788 . . . . 6.27 109.108 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.41 128.89 91.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 121.129 0.49 . . . . 3.08 111.216 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.8 108.48 2.58 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.512 2.141 . . . . 1.71 112.117 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.6 mm -75.51 -16.69 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.449 0.642 . . . . 2.27 109.791 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.552 HD23 ' HG ' ' A' ' 49' ' ' LEU . 88.1 mt -52.81 -36.82 59.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.307 -0.86 . . . . 2.13 110.824 175.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.66 -33.95 73.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.921 -0.581 . . . . 1.02 111.285 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -70.37 -39.46 74.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.37 0.605 . . . . 2.23 109.967 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.539 ' HE1' HG21 ' A' ' 64' ' ' THR . 40.2 t80 -63.06 -49.69 73.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.22 -0.9 . . . . 1.52 111.095 -177.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.59 -26.87 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.475 -0.33 . . . . 2.43 111.021 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -60.3 -45.55 92.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.182 0.515 . . . . 1.99 109.849 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.53 ' HZ3' ' HE1' ' A' ' 43' ' ' TYR . 46.6 m0 -63.81 -37.46 87.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.601 -0.727 . . . . 1.14 110.781 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.584 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -70.34 -36.83 74.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 1.4 110.578 -178.226 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -62.82 -36.6 83.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.016 0.436 . . . . 3.34 110.045 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 68.1 mmm -68.63 -42.56 77.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.882 -0.599 . . . . 1.35 110.789 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.3 -36.78 74.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.768 0.655 . . . . 1.17 112.768 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.4 p -61.11 -50.75 71.99 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.046 0.758 . . . . 1.45 113.046 -171.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -96.8 6.63 48.3 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.088 -0.245 . . . . 2.5 110.823 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.0 m120 65.18 35.63 7.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.913 -0.585 . . . . 2.34 111.528 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.0 -16.99 60.6 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.529 0.681 . . . . 3.29 109.297 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 35' ' ' SER . 6.0 tt -62.83 103.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.023 -0.99 . . . . 0.81 110.677 177.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -70.68 157.01 38.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 2.15 109.858 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -64.24 -30.74 71.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.602 0.239 . . . . 1.0 111.297 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -38.14 72.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.153 0.502 . . . . 1.24 110.773 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.454 ' ND2' HG13 ' A' ' 30' ' ' ILE . 2.4 p-10 -110.34 14.39 22.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.865 -0.607 . . . . 1.45 110.921 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.502 ' HA ' HD11 ' A' ' 30' ' ' ILE . 32.8 t -67.81 -20.57 65.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.59 -0.892 . . . . 1.07 108.59 173.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -96.67 148.0 23.32 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.55 -1.205 . . . . 0.9 109.013 174.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 74.23 -0.5 3.33 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.213 1.005 . . . . 2.37 111.291 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.682 ' HB3' HD11 ' A' ' 71' ' ' ILE . 1.1 m-85 -88.7 82.72 6.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.046 -0.724 . . . . 1.61 109.046 169.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB2' HH22 ' A' ' 75' ' ' ARG . . . -123.82 116.73 23.45 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.92 -0.712 . . . . 1.04 111.769 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 44' ' ' PHE . 9.1 mp -74.72 -18.87 60.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.035 -0.984 . . . . 1.62 109.808 168.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.45 -38.89 58.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 114.63 -1.168 . . . . 1.81 112.749 -169.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.95 -33.4 64.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.073 0.463 . . . . 2.45 111.054 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' HE1' ' HZ3' ' A' ' 21' ' ' TRP . 82.7 m-85 -84.28 -29.35 26.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.811 -0.631 . . . . 1.91 111.356 -177.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' HB3' HG21 ' A' ' 150' ' ' THR . 67.1 m-85 -72.77 -42.04 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.107 0.48 . . . . 2.0 110.191 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -53.59 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.429 -0.805 . . . . 1.33 110.219 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -95.57 93.07 6.95 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.772 -0.825 . . . . 2.94 108.772 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.941 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . 63.3 mtt -71.13 89.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.355 -0.839 . . . . 1.99 111.673 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 m -126.47 -40.28 1.96 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.323 -0.853 . . . . 3.73 109.862 175.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.552 ' HG ' HD23 ' A' ' 15' ' ' LEU . 8.7 tt -83.88 -45.71 12.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 2.19 110.506 -178.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.5 mm? -81.56 -30.21 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 3.39 110.811 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 47' ' ' MET . 87.1 tttt -80.78 124.34 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.166 -0.47 . . . . 3.18 110.276 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -115.61 98.07 6.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.868 -0.605 . . . . 2.55 110.116 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.22 -127.23 8.47 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.852 -0.69 . . . . 1.64 112.378 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.05 -14.88 30.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.86 0.362 . . . . 2.87 110.997 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.4 m -136.19 -173.61 3.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.624 -0.509 . . . . 1.64 109.624 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 50' ' ' LEU . 7.6 p -125.95 131.97 71.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.272 0.558 . . . . 0.63 110.674 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -72.13 108.07 5.13 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.345 -0.843 . . . . 2.33 109.811 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.737 ' HZ ' ' HB3' ' A' ' 157' ' ' TYR . 72.3 m-85 -69.9 -6.85 35.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.481 -0.781 . . . . 0.82 111.423 -174.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.419 ' HA ' ' CE ' ' A' ' 170' ' ' MET . 0.6 OUTLIER -71.7 -58.52 3.41 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.981 -0.748 . . . . 1.65 108.981 -178.272 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -66.88 -32.44 73.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.946 -0.57 . . . . 2.25 110.654 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.518 ' HB1' HD21 ' A' ' 154' ' ' LEU . . . -62.49 -46.5 88.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.62 111.193 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.8 ' HB3' ' HD3' ' A' ' 174' ' ' ARG . 40.0 m -68.58 -36.48 78.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.354 . . . . 1.13 110.762 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 45.7 t -61.53 -49.2 77.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.007 -0.542 . . . . 0.99 110.483 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.539 HG21 ' HE1' ' A' ' 18' ' ' PHE . 18.1 p -74.66 -29.41 61.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.761 -0.654 . . . . 1.36 111.367 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.2 tm? -62.34 -41.98 99.01 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.422 -0.584 . . . . 1.52 109.422 176.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.75 -48.72 80.25 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.097 -0.501 . . . . 0.82 110.268 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.05 -32.35 81.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.56 111.969 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.655 ' HA ' HG22 ' A' ' 71' ' ' ILE . 41.9 t -68.22 -33.15 73.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.596 0.236 . . . . 1.16 110.898 179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 65' ' ' LEU . 88.4 t -65.77 -38.34 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.272 0.558 . . . . 1.54 109.858 175.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -67.91 -46.14 72.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.629 -0.714 . . . . 2.91 110.864 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.682 HD11 ' HB3' ' A' ' 38' ' ' PHE . 14.5 tt -68.8 -33.15 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 1.22 110.637 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 75' ' ' ARG . 81.5 t80 -57.08 -51.58 68.7 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.925 0.393 . . . . 0.86 110.728 176.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.2 p -71.01 -26.7 63.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.404 -0.362 . . . . 0.65 110.975 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 m -63.33 -33.11 74.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.902 0.382 . . . . 1.3 110.18 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.517 HH22 ' HB2' ' A' ' 39' ' ' ALA . 86.9 mtt180 -65.33 -42.46 92.92 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.02 -0.536 . . . . 1.69 110.151 174.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.866 HG12 HD12 ' A' ' 192' ' ' ILE . 23.1 t -58.45 -42.11 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.838 -0.619 . . . . 0.78 109.833 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -66.34 -32.15 73.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.782 -0.644 . . . . 1.87 110.855 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 t -66.44 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 1.25 110.12 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.07 -48.84 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.4 109.727 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.4 81.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 1.45 110.888 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.6 m -61.92 -40.14 94.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.23 0.538 . . . . 1.96 109.958 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.8 -33.68 74.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 2.42 110.094 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.632 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 7.1 m -65.17 -36.23 83.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.94 -0.573 . . . . 3.15 109.888 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.75 -25.61 61.56 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.458 -0.792 . . . . 4.2 113.028 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -61.89 -43.12 99.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.064 0.459 . . . . 4.88 109.8 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 86' ' ' LEU . 5.8 mp -74.53 -42.12 59.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.795 -0.638 . . . . 5.71 110.282 176.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 83' ' ' THR . 72.9 mt -59.91 -45.62 91.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.565 -0.743 . . . . 6.68 111.76 -175.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.4 p -61.27 -34.99 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.242 -0.436 . . . . 8.18 111.818 -175.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.44 94.43 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.946 -0.645 . . . . 8.78 111.934 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 mp -78.1 -21.8 49.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.777 0.323 . . . . 8.69 111.098 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.92 -8.14 46.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 10.13 111.241 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.05 -45.86 93.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 12.11 110.007 176.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 t -141.25 98.68 3.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.952 -0.567 . . . . 11.17 110.014 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -111.92 -37.77 5.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.507 -0.315 . . . . 11.37 111.326 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -81.37 141.89 33.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.739 0.304 . . . . 13.64 110.441 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 p -72.67 108.77 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.12 -0.491 . . . . 13.75 110.815 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -95.21 -81.65 0.39 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.916 -0.584 . . . . 16.1 110.128 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -136.93 98.27 3.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.177 0.513 . . . . 14.61 111.122 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.45 17.88 13.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.719 0.771 . . . . 16.89 109.148 173.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -73.1 133.67 44.24 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.356 -1.293 . . . . 14.47 111.356 -175.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -71.63 105.2 3.58 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.587 -0.733 . . . . 17.73 111.36 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -92.56 88.36 6.29 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.192 -0.913 . . . . 14.83 109.574 174.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.567 ' HA ' ' HA2' ' A' ' 109' ' ' GLY . 19.5 m-20 -84.2 90.72 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.017 -0.538 . . . . 16.07 110.559 -176.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.49 168.72 40.2 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.89 -0.595 . . . . 14.74 111.747 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -66.99 -30.94 76.69 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.066 -0.588 . . . . 15.53 113.019 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.21 -50.75 43.1 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.107 -0.568 . . . . 15.58 112.885 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.4 t -80.09 -39.0 30.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.851 0.357 . . . . 15.74 111.032 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.8 -51.22 0.53 Allowed Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.197 -0.761 . . . . 16.77 111.197 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.567 ' HA2' ' HA ' ' A' ' 103' ' ' ASP . . . 109.72 -152.71 17.15 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.568 -0.825 . . . . 17.08 112.572 175.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.1 m -75.0 -14.17 60.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.732 0.301 . . . . 17.9 111.113 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.43 ' O ' HD12 ' A' ' 111' ' ' LEU . 4.2 pp -67.81 145.05 55.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.034 0.445 . . . . 16.88 110.144 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -120.46 146.4 46.29 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.105 -0.498 . . . . 15.45 109.883 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -70.92 111.65 6.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.946 0.403 . . . . 17.68 110.203 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -72.93 164.71 26.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.101 -0.333 . . . . 14.48 110.101 -178.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.597 ' HB ' ' HB2' ' A' ' 214' ' ' PHE . 49.2 mm -72.78 120.39 21.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.185 -0.461 . . . . 11.8 109.896 178.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.419 ' HB2' HG23 ' A' ' 119' ' ' VAL . 17.0 m120 -86.77 152.34 53.87 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 109.501 -0.555 . . . . 11.37 109.501 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.23 -29.77 84.96 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.437 2.091 . . . . 10.68 111.771 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -69.42 -25.58 64.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.589 . . . . 10.74 110.981 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' A' ' 116' ' ' ASN . 45.1 t -68.52 -32.81 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.154 0.502 . . . . 8.53 109.817 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 24.2 mmt -62.39 -32.59 73.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.812 -0.631 . . . . 8.74 110.452 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -74.57 -31.14 61.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 7.33 110.44 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.437 ' O ' HG23 ' A' ' 126' ' ' VAL . 94.0 mmm -67.59 -46.62 72.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.154 -0.476 . . . . 7.24 110.176 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.465 ' O ' ' HG3' ' A' ' 127' ' ' GLU . 61.6 mt -68.88 -31.12 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.551 . . . . 5.24 110.227 177.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 10.9 t70 -54.23 -50.13 67.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.95 -0.568 . . . . 4.69 110.067 176.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.607 ' O ' ' HG2' ' A' ' 129' ' ' LYS . 25.7 m -61.01 -40.36 93.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.656 -0.702 . . . . 4.02 110.521 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.594 HG11 HD22 ' A' ' 207' ' ' LEU . 85.7 t -58.56 -44.7 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.551 . . . . 3.81 110.671 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.49 ' HG2' HD11 ' A' ' 204' ' ' LEU . 48.1 mt-10 -64.85 -40.78 95.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.396 . . . . 4.32 110.665 177.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.519 ' HA ' ' HE2' ' A' ' 131' ' ' MET . 47.4 mmtm -59.48 -41.14 89.09 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.162 -0.472 . . . . 4.42 110.604 178.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 125' ' ' SER . 32.3 mmmt -61.87 -41.22 97.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 4.65 111.082 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -54.55 -45.58 73.48 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.863 0.363 . . . . 3.16 110.747 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 128' ' ' LYS . 64.1 mtm -60.79 -47.19 87.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.878 -0.601 . . . . 3.28 110.865 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 m -66.77 -36.1 81.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.425 -0.352 . . . . 1.58 111.074 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 129' ' ' LYS . 3.6 mm? -60.25 -48.47 81.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.41 . . . . 1.83 110.662 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -68.57 -38.67 80.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.078 -0.51 . . . . 3.67 110.575 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -60.43 -48.97 79.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.806 -0.634 . . . . 1.73 111.118 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.557 ' O ' HG23 ' A' ' 140' ' ' VAL . 61.4 mtm -60.13 -47.52 85.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.644 -0.253 . . . . 1.05 110.612 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 74.7 mmm -57.06 -43.68 82.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 1.44 111.066 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -69.25 -27.05 65.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.993 0.425 . . . . 3.44 110.451 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 39.6 m -73.31 -36.75 66.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.185 -0.461 . . . . 1.16 110.282 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 136' ' ' MET . 84.9 t -60.45 -51.88 67.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.946 -0.57 . . . . 1.15 110.741 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 8.5 mp -67.14 -29.5 69.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 1.45 111.604 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -61.72 -47.95 82.93 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.317 0.579 . . . . 3.01 110.015 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.622 ' HA ' ' HD2' ' A' ' 146' ' ' LYS . 5.8 m-20 -70.46 -29.42 65.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 1.64 110.376 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 141' ' ' LEU . 53.4 tttm -55.83 -46.5 78.12 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.317 -0.401 . . . . 1.8 110.247 173.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.571 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 29.5 m170 -56.03 -46.14 78.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.894 -0.593 . . . . 0.84 109.785 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 143' ' ' ASP . 90.2 mttt -57.75 -43.84 85.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.627 -0.715 . . . . 2.66 111.072 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 143' ' ' ASP . 69.5 mt -58.9 -48.77 85.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.59 110.462 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.74 -29.23 69.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.763 -0.653 . . . . 2.39 111.036 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 43.5 mt-10 -63.3 -48.75 76.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.504 -0.554 . . . . 2.47 109.504 172.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.451 HG21 ' HB3' ' A' ' 44' ' ' PHE . 34.0 m -59.39 -44.26 92.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.233 -0.894 . . . . 0.71 110.835 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 147' ' ' ILE . 83.9 mt -56.31 -47.67 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.317 -0.401 . . . . 1.05 110.601 177.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.67 97.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.065 -0.516 . . . . 0.49 110.946 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 35.8 m -61.34 -44.21 97.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.228 -0.442 . . . . 0.54 111.02 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.518 HD21 ' HB1' ' A' ' 61' ' ' ALA . 8.3 mp -67.08 -39.5 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 1.37 111.043 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.453 ' HA ' ' HE2' ' A' ' 171' ' ' PHE . 21.5 t70 -61.38 -49.88 75.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.193 0.52 . . . . 0.78 110.655 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' A' ' 160' ' ' LYS . 35.1 mt-10 -70.2 -26.69 63.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.602 . . . . 2.52 110.824 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.737 ' HB3' ' HZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -61.59 -38.64 88.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.838 0.351 . . . . 0.92 110.122 176.357 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.472 ' HE3' ' HB ' ' A' ' 168' ' ' THR . 87.2 tttt -70.04 -35.24 74.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.545 . . . . 1.93 110.161 176.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -66.27 -38.25 87.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 3.78 109.95 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 5.1 mptp? -64.57 -45.79 85.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.842 -0.617 . . . . 2.94 110.177 173.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -54.55 114.63 1.75 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.496 -0.775 . . . . 1.97 111.362 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 8.3 m -107.64 2.26 23.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.802 -0.635 . . . . 3.67 110.345 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -158.98 86.73 0.12 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.951 -0.642 . . . . 3.19 112.155 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 178.67 114.37 0.41 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.037 -0.601 . . . . 2.95 111.642 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 9.5 m -104.21 -32.69 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.041 0.448 . . . . 3.61 110.803 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -70.68 111.73 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 3.62 111.362 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 100.27 -38.7 3.01 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.017 -0.611 . . . . 1.32 112.538 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.472 ' HB ' ' HE3' ' A' ' 158' ' ' LYS . 33.7 p -65.43 -43.08 91.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.772 0.32 . . . . 1.5 111.673 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 169' ' ' ARG . 5.1 ptp180 -69.06 -41.43 77.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.509 -0.314 . . . . 3.65 110.826 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 59' ' ' GLN . 13.6 tmm? -63.35 -43.07 98.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.37 109.932 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.624 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 48.8 t80 -56.12 -43.77 78.5 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.601 -0.727 . . . . 0.9 112.071 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.83 -46.74 70.96 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.818 -0.353 . . . . 2.38 111.135 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -67.9 -34.47 76.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 2.29 110.871 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.8 ' HD3' ' HB3' ' A' ' 62' ' ' SER . 67.4 ttt180 -75.85 -30.04 58.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.741 0.305 . . . . 3.45 110.892 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.32 -49.02 78.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 1.22 110.711 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 180' ' ' LYS . 10.5 pt-20 -61.14 -33.75 73.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.4 -0.364 . . . . 1.35 110.434 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -69.85 -43.8 71.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.27 -0.423 . . . . 2.03 110.362 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.17 81.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.91 111.156 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 151' ' ' ILE . 11.2 mp -67.54 -31.38 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 1.63 110.776 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 176' ' ' GLU . 21.6 ttmm -66.67 -40.46 88.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.257 0.551 . . . . 3.14 109.811 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 51.9 m -70.59 -41.26 72.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 1.29 110.307 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.5 ttt -61.65 -32.88 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.609 -0.723 . . . . 0.66 110.805 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.69 84.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.71 110.997 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.412 ' NZ ' ' HG2' ' A' ' 180' ' ' LYS . 61.9 mttp -71.18 -45.28 63.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 2.83 110.475 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -70.17 -19.6 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.001 -0.545 . . . . 2.06 111.062 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.16 -33.54 76.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.174 0.511 . . . . 1.16 109.993 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.76 -37.31 79.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 2.35 109.703 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 191' ' ' GLU . 26.0 tptp -65.6 -40.0 92.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.51 -0.768 . . . . 2.76 109.742 176.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.585 ' HA ' HG11 ' A' ' 76' ' ' VAL . 24.4 tp -59.86 -50.78 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.576 -0.738 . . . . 1.24 110.386 174.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -59.71 -33.47 71.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 2.24 111.267 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 188' ' ' LYS . 33.5 tt0 -57.11 -53.86 53.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 2.86 110.876 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 192' ' ' ILE . . . . . 0.866 HD12 HG12 ' A' ' 76' ' ' VAL . 63.5 mt -68.58 -38.62 79.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 1.24 110.977 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 11.8 m -59.13 -46.29 88.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.008 0.433 . . . . 1.75 110.57 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' GLU . . . . . 0.584 ' OE1' ' HD2' ' A' ' 197' ' ' ARG . 4.7 tp10 -65.33 -41.89 93.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.789 -0.642 . . . . 3.84 110.197 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 48.2 tp -55.81 -52.58 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.668 -0.696 . . . . 3.54 110.647 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.508 ' O ' HG22 ' A' ' 200' ' ' ILE . 60.2 tp -59.11 -58.03 10.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 3.31 111.136 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 197' ' ' ARG . . . . . 0.584 ' HD2' ' OE1' ' A' ' 194' ' ' GLU . 5.8 ptp180 -60.11 -35.22 74.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.792 0.293 . . . . 6.05 111.792 -173.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.73 -40.62 40.5 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.977 0.362 . . . . 4.3 111.977 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.89 -37.81 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.582 0.586 . . . . 5.29 112.582 -171.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 196' ' ' LEU . 10.5 tt -71.55 -26.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.484 -0.486 . . . . 3.27 110.989 -175.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.434 ' HB3' ' CD ' ' A' ' 202' ' ' PRO . 8.4 tp10 -61.99 -57.61 22.82 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.395 -0.366 . . . . 6.5 111.037 -177.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 202' ' ' PRO . . . . . 0.497 ' HA ' ' HB3' ' A' ' 205' ' ' GLU . 38.5 Cg_endo -67.14 -24.13 44.96 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 121.738 1.625 . . . . 6.81 112.02 175.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -72.71 -36.54 67.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 6.75 110.251 -177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.594 HD22 HG12 ' A' ' 126' ' ' VAL . 0.2 OUTLIER -75.35 -41.72 55.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.824 -0.806 . . . . 6.12 108.824 172.5 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 202' ' ' PRO . 36.7 tt0 -55.0 -47.54 74.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.312 -0.858 . . . . 9.31 112.155 -177.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.533 ' HG3' HD12 ' A' ' 207' ' ' LEU . 1.0 OUTLIER -61.77 -40.95 96.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.189 -0.204 . . . . 10.45 111.191 -178.603 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.594 HD22 HG11 ' A' ' 126' ' ' VAL . 10.5 mp -68.22 -38.11 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 7.6 110.307 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -62.16 -37.7 86.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.798 -0.637 . . . . 9.48 110.26 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.89 -35.4 76.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 12.83 110.523 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 210' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 206' ' ' LYS . 41.9 mt-10 -68.37 -28.75 67.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.247 -0.433 . . . . 10.85 110.485 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 211' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 207' ' ' LEU . 29.7 mtpp -63.34 -37.76 88.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.303 0.573 . . . . 10.09 109.725 172.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -71.76 -23.95 61.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.498 -0.773 . . . . 12.5 110.49 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.66 96.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 13.01 110.554 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.597 ' HB2' ' HB ' ' A' ' 115' ' ' ILE . 75.8 t80 -60.93 -39.66 90.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.022 0.439 . . . . 13.47 110.131 176.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 218' ' ' GLN . 86.3 mt -72.84 -23.56 60.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.557 -0.747 . . . . 11.97 110.849 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.07 -37.84 72.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 12.73 109.926 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -76.34 -50.94 12.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.942 -0.572 . . . . 13.81 110.2 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 218' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 215' ' ' LEU . 20.0 mm-40 -114.12 113.64 24.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.733 -0.667 . . . . 15.46 110.484 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -88.51 -64.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.811 0.339 . . . . 15.41 110.529 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 23.4 p -91.1 81.49 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.308 0.575 . . . . 17.57 111.2 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.425 -0.798 . . . . 17.45 110.193 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 111.713 -0.555 . . . . 21.3 111.713 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -92.53 145.69 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.765 0.317 . . . . 20.91 110.342 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.4 mtp -88.33 -41.5 12.83 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.378 -0.601 . . . . 18.53 109.378 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -157.84 99.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.419 -0.81 . . . . 17.71 109.483 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.09 144.47 44.95 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.911 -0.586 . . . . 14.57 110.182 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.14 118.66 3.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 12.18 110.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.0 p -76.71 151.0 82.32 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.937 -0.574 . . . . 9.93 111.427 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.94 -9.92 21.07 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.647 2.231 . . . . 8.73 111.912 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.4 mtt -120.24 152.63 37.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.545 -0.752 . . . . 8.19 109.941 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 58.89 94.86 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.101 0.876 . . . . 6.67 111.926 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -92.27 128.14 38.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.812 -0.631 . . . . 6.27 110.265 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.3 t -109.22 101.76 46.5 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.884 -0.598 . . . . 3.08 109.932 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.05 102.09 1.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.65 2.233 . . . . 1.71 111.543 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.31 -37.82 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.726 -0.67 . . . . 2.27 110.124 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 16' ' ' ALA . 1.4 pp -64.81 -25.33 67.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.69 -0.686 . . . . 2.13 111.564 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.513 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -78.73 -42.52 28.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 1.02 110.327 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -62.85 -41.01 99.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 2.23 110.087 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.468 ' O ' ' HG2' ' A' ' 22' ' ' MET . 44.6 t80 -57.9 -39.8 78.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.463 -0.79 . . . . 1.52 111.067 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 7.8 mm-40 -60.82 -42.27 97.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 2.43 111.297 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -58.49 -47.26 84.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.015 -0.539 . . . . 1.99 109.789 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -61.09 -44.01 98.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.299 -0.864 . . . . 1.14 111.049 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 26.9 mmt -64.44 -50.26 68.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 1.4 111.465 -176.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -65.33 -39.32 92.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.901 0.382 . . . . 3.34 110.179 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.821 ' HA ' ' HB3' ' A' ' 29' ' ' LYS . 42.0 ttm -60.15 -45.05 94.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.515 . . . . 1.35 110.856 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.26 -51.55 36.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.349 -0.387 . . . . 1.17 111.655 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.3 p -66.57 -44.92 80.99 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.434 0.531 . . . . 1.45 112.434 -173.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.57 1.82 24.56 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.318 0.58 . . . . 2.5 110.739 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 65.4 21.4 11.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.65 -0.705 . . . . 2.34 110.129 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.821 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 81.2 tttt -63.85 -31.97 73.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.993 -1.003 . . . . 3.29 110.191 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.766 ' HB ' ' HG2' ' A' ' 24' ' ' MET . 4.2 tt -60.56 100.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.687 0.756 . . . . 0.81 111.439 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 29.5 m-80 -75.01 157.37 35.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.731 -0.84 . . . . 2.15 108.731 174.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.1 77.34 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 111.619 0.229 . . . . 1.0 111.619 -174.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.81 -33.89 73.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.979 0.418 . . . . 1.24 111.131 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' A' ' 30' ' ' ILE . 2.1 p-10 -110.48 14.28 22.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 1.45 111.062 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.527 ' HA ' HD11 ' A' ' 30' ' ' ILE . 21.8 t -70.61 -21.74 62.62 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.644 -1.243 . . . . 1.07 107.644 171.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.416 ' CH2' ' HB ' ' A' ' 79' ' ' VAL . 62.9 m95 -79.18 152.54 30.62 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 114.306 -1.315 . . . . 0.9 109.824 175.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 90.0 m-20 69.94 1.35 3.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.018 -0.992 . . . . 2.37 111.698 -175.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.824 ' HB3' HD11 ' A' ' 71' ' ' ILE . 10.6 m-85 -106.35 96.94 6.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.018 0.437 . . . . 1.61 111.073 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.96 121.54 19.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.062 -0.517 . . . . 1.04 109.981 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD23 HG21 ' A' ' 71' ' ' ILE . 4.0 mm? -69.47 -16.55 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.375 -0.375 . . . . 1.62 111.853 -175.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.065 HG21 ' HB3' ' A' ' 146' ' ' LYS . 40.8 mm -57.03 -29.82 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 1.81 111.217 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.67 -35.61 72.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.921 0.391 . . . . 2.45 110.342 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -75.28 -32.05 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 1.91 110.512 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.727 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 58.6 m-85 -68.98 -41.13 78.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.004 -0.544 . . . . 2.0 111.118 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -75.8 -23.58 55.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.175 0.512 . . . . 1.33 110.31 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.64 -60.65 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.53 -0.759 . . . . 2.94 110.913 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.662 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 57.3 mtt 59.2 28.69 18.08 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.711 0.634 . . . . 1.99 112.711 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -97.38 -34.05 11.19 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.699 -0.852 . . . . 3.73 108.699 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 tp -89.28 -45.93 9.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.319 -0.855 . . . . 2.19 110.921 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.68 -34.49 52.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.42 . . . . 3.39 111.383 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.8 ttpt -99.54 131.91 45.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.747 -0.464 . . . . 3.18 109.747 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -113.28 106.1 14.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.308 0.575 . . . . 2.55 109.919 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.83 -107.54 3.15 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.524 -0.762 . . . . 1.64 111.973 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -121.06 0.84 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.07 0.462 . . . . 2.87 110.552 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -125.16 135.11 52.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.746 -0.465 . . . . 1.64 109.746 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 12.0 p -95.57 131.56 42.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.319 0.58 . . . . 0.63 109.859 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.562 ' OD1' ' HB3' ' A' ' 59' ' ' GLN . 28.7 t-20 -77.34 101.93 6.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.43 -0.805 . . . . 2.33 109.246 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.718 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 88.8 m-85 -67.51 -9.65 44.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.535 -0.757 . . . . 0.82 111.204 -175.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.562 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 53.6 tt0 -71.43 -56.14 6.53 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.839 -0.8 . . . . 1.65 108.839 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -70.77 -28.06 64.39 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.023 -0.989 . . . . 2.25 109.79 177.361 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -65.36 -38.07 88.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 0.62 110.547 175.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.4 m -62.37 -44.35 96.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.869 0.366 . . . . 1.13 110.375 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.8 t -61.0 -44.14 97.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.99 110.513 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.1 m -68.25 -41.47 81.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 1.36 111.042 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 69' ' ' VAL . 52.6 tp -66.18 -43.65 86.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.52 110.77 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.04 -47.72 84.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.148 -0.478 . . . . 0.82 110.412 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.59 -33.21 83.83 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.56 111.954 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.553 ' HA ' HG22 ' A' ' 71' ' ' ILE . 49.6 t -63.61 -42.2 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.432 0.158 . . . . 1.16 110.746 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 65' ' ' LEU . 84.5 t -60.76 -41.92 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.064 0.459 . . . . 1.54 110.082 177.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.42 -47.61 72.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 2.91 111.388 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.824 HD11 ' HB3' ' A' ' 38' ' ' PHE . 18.2 tt -71.25 -34.26 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.753 0.311 . . . . 1.22 111.1 -176.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.472 ' OH ' ' HB2' ' A' ' 144' ' ' LYS . 71.3 t80 -59.74 -46.38 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.044 0.45 . . . . 0.86 110.415 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.45 HG21 ' HD2' ' A' ' 185' ' ' LYS . 6.5 p -75.37 -25.32 57.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.721 -0.672 . . . . 0.65 111.598 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.0 m -64.79 -34.99 79.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.136 0.493 . . . . 1.3 109.848 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 71' ' ' ILE . 65.4 mtp180 -65.51 -42.38 92.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.817 -0.629 . . . . 1.69 109.533 174.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.631 HG22 HG11 ' A' ' 140' ' ' VAL . 62.0 t -57.86 -41.3 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.352 -0.84 . . . . 0.78 110.457 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.1 -31.96 71.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.984 -0.553 . . . . 1.87 110.452 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.8 t -66.37 -48.94 68.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.08 -0.509 . . . . 1.25 111.12 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.416 ' HB ' ' CH2' ' A' ' 36' ' ' TRP . 5.6 p -67.44 -34.05 66.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 1.4 110.834 -178.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HB2' ' CD1' ' A' ' 192' ' ' ILE . . . -63.63 -44.96 92.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 1.45 110.797 176.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 m -61.66 -40.62 95.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 1.96 109.989 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -68.08 -33.34 74.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.511 -0.768 . . . . 2.42 110.214 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.7 m -69.08 -33.97 74.38 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.111 -0.495 . . . . 3.15 110.578 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.06 -29.23 70.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.142 -0.551 . . . . 4.2 112.138 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.53 -34.73 77.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.673 0.273 . . . . 4.88 110.489 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.433 HD11 ' HG ' ' A' ' 133' ' ' LEU . 80.8 mt -66.49 -45.66 78.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.177 0.513 . . . . 5.71 109.634 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.5 tp -62.41 -44.73 95.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.403 -0.817 . . . . 6.68 110.609 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.5 t -56.79 -41.94 78.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 8.18 110.411 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.49 87.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.914 -0.66 . . . . 8.78 112.152 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.92 -36.13 76.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.083 0.468 . . . . 8.69 110.97 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.98 50.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 10.13 111.267 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -71.49 -42.85 67.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.405 -0.361 . . . . 12.11 111.1 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.5 m -72.87 -11.64 60.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 11.17 111.666 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -75.8 -37.14 59.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.113 0.482 . . . . 11.37 109.885 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -83.56 105.09 14.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.755 -0.657 . . . . 13.64 110.537 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.4 t -86.73 127.36 34.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.584 -0.734 . . . . 13.75 109.208 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -104.53 80.44 1.68 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.015 0.436 . . . . 16.1 110.81 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -167.79 120.1 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.701 -0.682 . . . . 14.61 110.512 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -83.79 92.94 7.86 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.079 -0.711 . . . . 16.89 109.079 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -63.91 114.39 4.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.608 -0.724 . . . . 14.47 111.309 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -74.51 -30.13 61.68 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.989 -0.745 . . . . 17.73 108.989 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.87 144.77 51.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.64 -1.163 . . . . 14.83 108.755 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.29 143.53 52.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.809 0.338 . . . . 16.07 110.614 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.83 0.39 78.0 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.193 -0.527 . . . . 14.74 112.924 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -95.97 -146.77 21.54 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.693 -0.765 . . . . 15.53 111.833 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.69 -11.3 72.52 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.919 -0.658 . . . . 15.58 112.645 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.4 t 66.0 -76.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 123.386 0.675 . . . . 15.74 111.048 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.89 -121.39 0.56 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.972 -0.632 . . . . 16.77 111.866 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 142.33 -77.47 0.29 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.134 -0.786 . . . . 17.08 111.134 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.7 p -116.82 -6.14 11.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.343 0.592 . . . . 17.9 110.229 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.9 mt -115.41 -174.7 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.616 -0.72 . . . . 16.88 110.474 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -74.4 174.01 9.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.205 -0.452 . . . . 15.45 110.464 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -89.94 143.84 26.44 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.006 -0.368 . . . . 17.68 110.006 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.534 ' H ' ' HD2' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -85.34 -170.58 3.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.468 -0.333 . . . . 14.48 110.27 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.7 mt -48.66 127.52 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.335 0.588 . . . . 11.8 111.252 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.95 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . 18.7 m120 -71.47 143.56 87.89 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.0 -1.0 . . . . 11.37 111.34 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.79 -23.16 74.39 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.836 2.357 . . . . 10.68 112.076 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.95 ' HD3' ' HB3' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -72.15 -5.31 34.7 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 118.69 -0.671 . . . . 10.74 111.411 176.371 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.639 ' HB ' ' O ' ' A' ' 116' ' ' ASN . 1.0 OUTLIER -51.4 -15.39 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 124.221 0.951 . . . . 8.53 112.668 -175.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.492 ' HG2' HD12 ' A' ' 123' ' ' ILE . 2.6 mtm -48.46 -24.52 1.3 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 124.132 0.973 . . . . 8.74 112.462 172.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.521 ' HB2' HD23 ' A' ' 215' ' ' LEU . 3.6 p-10 -60.72 -32.71 71.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.07 -0.514 . . . . 7.33 111.324 177.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.0 ttt -62.63 -33.45 75.05 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.308 0.575 . . . . 7.24 110.597 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.658 HG21 ' HG ' ' A' ' 207' ' ' LEU . 78.6 mt -51.12 -23.28 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 114.849 -1.069 . . . . 5.24 112.44 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -44.61 -28.78 0.64 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.9 0.704 . . . . 4.69 112.9 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.0 t -52.26 -30.83 29.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.713 0.405 . . . . 4.02 111.6 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.808 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 35.8 m -55.27 -38.08 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 111.858 0.318 . . . . 3.81 111.858 -177.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 131' ' ' MET . 53.6 mt-10 -72.95 -29.51 63.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.855 0.36 . . . . 4.32 111.217 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -62.76 -47.64 82.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.938 -0.573 . . . . 4.42 110.273 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.808 ' HE3' ' HA ' ' A' ' 126' ' ' VAL . 22.0 pttp -71.51 -27.3 63.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 4.65 111.287 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -71.41 -32.18 68.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.485 -0.325 . . . . 3.16 111.44 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 88.4 mmm -55.95 -38.89 70.95 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.221 0.452 . . . . 3.28 112.221 -176.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.6 p -64.33 -40.85 96.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.106 0.479 . . . . 1.58 110.408 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.433 ' HG ' HD11 ' A' ' 86' ' ' LEU . 4.5 mm? -60.2 -51.2 70.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.668 -0.696 . . . . 1.83 110.975 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -62.59 -39.96 95.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.083 -0.508 . . . . 3.67 110.168 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -61.73 -43.77 98.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 1.73 110.797 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.478 ' O ' HG23 ' A' ' 140' ' ' VAL . 73.9 mtm -65.99 -39.68 90.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.76 -0.2 . . . . 1.05 110.693 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 82.7 mmm -59.54 -44.87 93.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.01 0.433 . . . . 1.44 110.528 174.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -63.95 -34.98 79.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.627 . . . . 3.44 110.464 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 52.7 m -65.9 -44.27 85.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.732 -0.667 . . . . 1.16 110.446 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.631 HG11 HG22 ' A' ' 76' ' ' VAL . 79.6 t -57.04 -47.9 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 1.15 110.75 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.509 HD21 HD21 ' A' ' 189' ' ' LEU . 54.3 mt -67.56 -33.45 75.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.281 -0.418 . . . . 1.45 110.702 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.729 ' HG2' ' HE3' ' A' ' 146' ' ' LYS . 40.6 ttmt -60.57 -45.9 92.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 3.01 109.901 175.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.901 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 63.6 m-20 -66.76 -28.43 68.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 1.64 111.428 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.472 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 39.9 ttmt -61.46 -36.7 81.15 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.562 -0.533 . . . . 1.8 109.562 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.468 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 35.4 m80 -63.97 -36.78 85.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.84 110.418 175.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 1.065 ' HB3' HG21 ' A' ' 41' ' ' ILE . 1.4 mptm? -62.24 -35.84 80.16 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.986 0.422 . . . . 2.66 110.46 174.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.53 HG12 HD11 ' A' ' 41' ' ' ILE . 69.8 mt -63.02 -43.06 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.59 110.554 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.95 -43.91 98.02 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.308 -0.405 . . . . 2.39 110.458 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 38.2 mt-10 -58.61 -39.11 79.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 121.252 0.548 . . . . 2.47 110.104 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 44' ' ' PHE . 61.3 m -68.17 -52.83 30.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.411 -0.813 . . . . 0.71 111.352 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 147' ' ' ILE . 51.0 mm -58.9 -42.95 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.403 . . . . 1.05 110.382 -178.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 156' ' ' GLU . . . -59.71 -53.52 57.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.758 -0.655 . . . . 0.49 110.888 177.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 56.7 m -61.8 -43.75 98.22 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.489 -0.323 . . . . 0.54 111.6 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 7.9 mp -62.94 -36.9 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 1.37 111.023 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.531 ' HA ' ' HD3' ' A' ' 158' ' ' LYS . 18.2 t70 -74.7 -25.12 58.93 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.826 -0.349 . . . . 0.78 110.367 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 152' ' ' ALA . 24.6 mm-40 -68.82 -31.15 69.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 2.52 110.402 175.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.407 ' HB2' ' HZ ' ' A' ' 58' ' ' PHE . 22.0 m-85 -63.3 -40.09 96.38 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.675 -0.491 . . . . 0.92 109.675 172.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.664 ' HD2' ' HD2' ' A' ' 171' ' ' PHE . 8.1 mtpm? -64.36 -35.19 80.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.685 -0.689 . . . . 1.93 110.106 174.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -65.64 -49.63 67.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.274 -0.876 . . . . 3.78 110.928 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -75.75 -34.74 60.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 2.94 111.35 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.559 ' O ' HG21 ' A' ' 168' ' ' THR . . . -129.24 99.12 5.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.454 -0.339 . . . . 1.97 110.896 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 5.4 p -86.46 -61.72 1.68 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.017 0.436 . . . . 3.67 110.535 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -78.39 118.9 5.02 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.91 -0.662 . . . . 3.19 111.779 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 173.38 -173.36 45.7 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.757 -0.735 . . . . 2.95 111.998 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 43.1 m -106.11 11.52 31.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.828 0.346 . . . . 3.61 110.934 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 3.62 111.015 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 103.7 28.77 5.84 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.972 -0.633 . . . . 1.32 111.569 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.559 HG21 ' O ' ' A' ' 161' ' ' ALA . 18.9 p -56.36 -49.64 73.82 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.906 0.483 . . . . 1.5 112.274 -176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -71.85 -31.33 66.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.146 0.498 . . . . 3.65 110.745 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 47.2 ttp -71.04 -34.66 71.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.062 -0.517 . . . . 1.37 110.024 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.665 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 83.4 t80 -67.53 -27.92 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.9 110.6 176.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.13 -46.6 80.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.075 0.464 . . . . 2.38 110.035 176.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.3 -39.15 89.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 2.29 110.501 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -69.68 -37.78 76.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.73 -0.668 . . . . 3.45 110.596 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -55.76 -54.95 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 1.22 111.04 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.37 -37.3 85.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 1.35 111.671 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.83 -41.69 71.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 2.03 110.989 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -66.66 -49.67 65.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.91 111.175 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.83 -31.75 72.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.64 -0.254 . . . . 1.63 111.065 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -69.5 -45.71 68.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.477 -0.329 . . . . 3.14 110.896 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 7.2 t -73.31 -28.9 62.35 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.072 0.463 . . . . 1.29 109.955 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 25.3 ttt -65.47 -47.98 74.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.042 -0.526 . . . . 0.66 110.124 175.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -66.6 -29.94 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.045 -0.525 . . . . 0.71 111.701 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 181' ' ' THR . 6.6 pttp -72.76 -44.55 61.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.458 0.647 . . . . 2.83 109.795 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 188' ' ' LYS . 20.4 ttmm -78.24 -8.47 58.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.361 -0.836 . . . . 2.06 110.519 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 27.4 t70 -69.44 -27.71 65.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.43 -0.804 . . . . 1.16 110.752 177.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 91.8 mt -53.04 -45.79 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 2.35 111.635 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' LYS . . . . . 0.537 ' O ' HG13 ' A' ' 192' ' ' ILE . 21.9 ptmt -68.9 -28.92 67.12 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 121.036 -0.265 . . . . 2.76 110.751 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.509 HD21 HD21 ' A' ' 141' ' ' LEU . 7.1 tt -65.61 -50.26 65.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.402 -0.592 . . . . 1.24 109.402 177.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -71.66 -19.24 62.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.719 -0.673 . . . . 2.24 110.724 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 5.9 tp10 -65.81 -45.5 82.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.139 -0.689 . . . . 2.86 109.139 174.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' ILE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 80' ' ' ALA . 58.8 mt -59.3 -51.31 74.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.608 -0.724 . . . . 1.24 110.971 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 24.6 p -58.97 -37.97 78.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.931 0.396 . . . . 1.75 110.851 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.01 -52.55 34.36 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.899 -0.591 . . . . 3.84 110.497 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 74.0 mt -61.72 -43.15 99.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.499 -0.319 . . . . 3.54 111.457 -176.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.19 -46.15 90.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.864 0.364 . . . . 3.31 110.537 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 197' ' ' ARG . . . . . 0.434 ' O ' ' HD3' ' A' ' 202' ' ' PRO . 40.8 ttp180 -81.05 -32.96 33.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.907 -0.588 . . . . 6.05 111.999 -174.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 198' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 202' ' ' PRO . 26.9 t70 -91.09 -34.74 14.95 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.374 0.509 . . . . 4.3 112.374 -174.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -98.49 -60.74 1.49 Allowed 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.728 -0.389 . . . . 5.29 111.264 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 58.8 mt -74.6 -48.33 35.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 3.27 111.882 -172.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.487 ' HB3' ' HD3' ' A' ' 202' ' ' PRO . 34.9 tt0 -54.01 -51.2 79.31 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 113.056 0.762 . . . . 6.5 113.056 -175.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 202' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 201' ' ' GLU . 48.1 Cg_exo -58.18 -33.67 97.74 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 121.711 1.607 . . . . 6.81 112.499 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.02 -46.23 53.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 6.75 110.212 178.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 126' ' ' VAL . 0.2 OUTLIER -66.58 -35.58 80.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.643 -0.708 . . . . 6.12 110.179 -178.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.23 -29.7 58.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.497 -0.774 . . . . 9.31 111.167 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.716 ' O ' ' HG2' ' A' ' 210' ' ' GLU . 39.1 tttp -64.38 -56.49 14.02 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.359 -0.382 . . . . 10.45 109.997 175.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.658 ' HG ' HG21 ' A' ' 123' ' ' ILE . 2.6 mm? -59.19 -27.9 66.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 7.6 110.739 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.979 ' HA ' ' HE3' ' A' ' 211' ' ' LYS . 25.9 ttt180 -67.91 -43.91 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.006 -0.543 . . . . 9.48 110.411 176.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -69.47 -44.13 71.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.781 -0.645 . . . . 12.83 111.824 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 210' ' ' GLU . . . . . 0.716 ' HG2' ' O ' ' A' ' 206' ' ' LYS . 5.3 mm-40 -56.48 -29.66 62.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.492 -0.776 . . . . 10.85 112.697 -171.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 211' ' ' LYS . . . . . 0.979 ' HE3' ' HA ' ' A' ' 208' ' ' ARG . 80.0 mttt -55.63 -37.52 68.3 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.035 0.754 . . . . 10.09 113.035 -169.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.422 ' HA ' ' HD3' ' A' ' 212' ' ' ARG . 28.4 mmt180 -48.65 -60.15 2.95 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.863 0.69 . . . . 12.5 112.863 -167.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.98 -23.59 25.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.098 0.475 . . . . 13.01 110.766 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 118' ' ' LYS . 5.2 m-30 -68.72 -27.32 65.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.982 -0.554 . . . . 13.47 112.352 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 211' ' ' LYS . 90.7 mt -47.76 -21.98 0.47 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.758 0.651 . . . . 11.97 112.758 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 216' ' ' ASP . . . . . 0.415 ' HA ' ' HB3' ' A' ' 219' ' ' GLN . 9.0 t70 -47.05 -36.44 8.05 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.294 0.638 . . . . 12.73 112.406 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 217' ' ' PHE . . . . . 0.449 ' HD1' ' HB2' ' A' ' 116' ' ' ASN . 34.9 t80 -50.75 -56.57 11.4 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.806 0.336 . . . . 13.81 111.389 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -90.09 -17.65 27.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.261 -0.427 . . . . 15.46 111.604 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 219' ' ' GLN . . . . . 0.415 ' HB3' ' HA ' ' A' ' 216' ' ' ASP . 26.5 tt0 -70.34 -36.99 74.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.104 -0.498 . . . . 15.41 111.581 -174.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 2.3 t -147.34 105.3 3.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.762 0.791 . . . . 17.57 110.853 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 . . . . . 0 C--O 1.247 0.932 0 CA-C-N 115.089 -0.959 . . . . 17.45 111.074 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.765 -0.534 . . . . 21.3 111.765 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 68.84 -70.99 0.12 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.311 0.644 . . . . 20.91 111.733 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 34.4 ttm -130.46 112.98 13.73 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.337 -0.245 . . . . 18.53 110.337 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -122.58 102.04 7.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.903 0.382 . . . . 17.71 110.517 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.0 166.51 11.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.999 -0.546 . . . . 14.57 109.998 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -85.52 102.05 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.914 0.387 . . . . 12.18 110.147 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.571 HG22 ' HG2' ' A' ' 9' ' ' MET . 5.1 m -75.07 131.5 78.56 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.205 -0.452 . . . . 9.93 110.355 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -79.93 42.84 1.39 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.841 3.027 . . . . 8.73 112.575 -175.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.571 ' HG2' HG22 ' A' ' 7' ' ' THR . 90.1 mmm -93.38 6.9 46.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.259 -0.428 . . . . 8.19 111.216 -178.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -92.81 97.37 10.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.177 0.513 . . . . 6.67 110.032 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -107.23 132.25 53.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.869 -0.605 . . . . 6.27 110.353 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 85.1 t -67.86 128.61 93.4 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.652 -0.499 . . . . 3.08 109.652 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 32.1 Cg_exo -61.48 91.79 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.688 2.258 . . . . 1.71 111.699 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 43' ' ' TYR . 21.6 mt -65.05 -37.65 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.663 -0.699 . . . . 2.27 111.256 -176.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 80.4 mt -61.45 -47.3 86.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.888 0.375 . . . . 2.13 110.151 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' ' 13' ' ' PRO . . . -66.94 -43.21 83.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.9 -0.591 . . . . 1.02 111.115 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -61.2 -40.12 92.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 2.23 110.909 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' O ' ' HG2' ' A' ' 22' ' ' MET . 83.7 t80 -65.39 -48.33 73.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.055 -0.52 . . . . 1.52 110.449 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 44.7 mt-10 -60.79 -36.87 80.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.276 -0.42 . . . . 2.43 110.748 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.74 -47.35 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 1.99 110.367 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.502 ' CE2' ' HB2' ' A' ' 38' ' ' PHE . 45.0 m0 -65.43 -38.91 91.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.028 -0.533 . . . . 1.14 111.016 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 28.9 mmt -61.15 -43.48 98.82 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.82 -0.437 . . . . 1.4 109.82 177.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.745 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.21 -39.28 89.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.645 -0.707 . . . . 3.34 110.235 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 80.0 mmm -58.38 -44.19 88.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.541 . . . . 1.35 110.806 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.64 72.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 1.17 111.733 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 p -71.99 -36.86 69.9 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.801 0.297 . . . . 1.45 111.801 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.89 -11.41 59.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.64 0.257 . . . . 2.5 110.524 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.1 t30 60.66 40.3 16.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.934 0.874 . . . . 2.34 109.903 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -83.56 -4.42 58.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.494 -0.776 . . . . 3.29 109.931 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.554 ' CD1' HG13 ' A' ' 71' ' ' ILE . 2.8 tt -78.22 83.63 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.917 0.865 . . . . 0.81 110.442 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.522 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 21.2 m120 -73.23 160.04 32.53 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.643 -0.873 . . . . 2.15 108.643 172.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.54 -14.05 62.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.107 0.41 . . . . 1.0 112.107 -173.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.35 -34.47 55.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.011 0.434 . . . . 1.24 110.604 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.522 ' ND2' ' HB2' ' A' ' 31' ' ' ASN . 11.7 p30 -111.83 13.18 20.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 1.45 111.714 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.45 ' HA ' HG13 ' A' ' 30' ' ' ILE . 6.5 p -72.06 -20.99 61.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.566 0.698 . . . . 1.07 109.23 174.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.473 ' CZ2' ' HB2' ' A' ' 78' ' ' SER . 19.2 m95 -78.49 177.38 8.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.983 -1.008 . . . . 0.9 109.242 171.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.1 0.4 1.25 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.874 1.064 . . . . 2.37 113.874 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.502 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 5.0 p90 -150.11 132.88 15.96 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.682 -0.636 . . . . 1.61 110.314 166.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.617 ' HB1' HG22 ' A' ' 41' ' ' ILE . . . -133.78 123.26 24.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.832 -0.622 . . . . 1.04 110.808 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 mt -69.31 -23.24 63.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.253 -0.431 . . . . 1.62 110.567 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.617 HG22 ' HB1' ' A' ' 39' ' ' ALA . 10.0 tp -59.27 -29.15 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.662 -0.699 . . . . 1.81 111.395 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.74 -42.51 93.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 2.45 110.637 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 14' ' ' ILE . 94.6 m-85 -84.43 -28.14 27.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.917 -0.583 . . . . 1.91 111.168 177.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CE2' ' HB ' ' A' ' 150' ' ' THR . 21.5 t80 -67.64 -32.23 72.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.866 -0.606 . . . . 2.0 109.849 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -64.52 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.76 -0.655 . . . . 1.33 111.741 -177.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -103.04 116.69 33.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.809 0.814 . . . . 2.94 109.56 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.563 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 67.9 mtm -90.25 81.01 6.13 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.615 -0.721 . . . . 1.99 111.16 -173.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 t -93.09 -28.92 16.05 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.44 -0.578 . . . . 3.73 109.44 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD12 HG22 ' A' ' 14' ' ' ILE . 10.5 tt -89.75 -45.41 9.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 2.19 111.688 -175.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.39 -3.67 43.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 3.39 111.875 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HB3' ' O ' ' A' ' 47' ' ' MET . 29.0 ttpp -109.64 132.67 53.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.998 -0.371 . . . . 3.18 109.998 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -107.63 106.62 17.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.332 -0.618 . . . . 2.55 109.332 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.44 -105.75 1.73 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.567 -0.825 . . . . 1.64 111.676 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -121.44 15.09 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.865 0.364 . . . . 2.87 110.423 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 m -130.96 130.62 43.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.07 -0.514 . . . . 1.64 109.646 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 1.6 p -95.05 132.6 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-O 120.896 0.379 . . . . 0.63 110.345 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -63.43 102.37 0.41 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.344 -0.984 . . . . 2.33 108.344 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.851 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 71.7 m-85 -67.66 -8.35 34.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.791 0.329 . . . . 0.82 111.606 -174.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.39 -46.31 64.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.478 -0.934 . . . . 1.65 108.478 171.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -76.11 -33.98 59.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.095 -0.957 . . . . 2.25 110.186 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.716 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -55.9 -44.42 78.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.187 0.517 . . . . 0.62 110.616 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.672 ' HB3' ' HG2' ' A' ' 174' ' ' ARG . 45.6 m -68.92 -44.37 73.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 1.13 111.122 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 84.8 m -66.5 -37.25 84.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.475 -0.33 . . . . 0.99 111.751 -177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -70.12 -43.6 70.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.788 -0.187 . . . . 1.36 110.838 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.0 -46.45 90.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.019 0.438 . . . . 1.52 110.309 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.42 -40.02 92.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.564 -0.744 . . . . 0.82 110.744 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.55 -39.54 86.71 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.92 -0.657 . . . . 0.56 112.198 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' HA ' HG22 ' A' ' 71' ' ' ILE . 86.3 m -63.59 -42.31 98.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.588 0.218 . . . . 1.16 111.588 -178.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.75 -36.63 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.359 -0.537 . . . . 1.54 110.568 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.67 -50.81 63.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.467 -0.333 . . . . 2.91 111.393 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 30' ' ' ILE . 12.6 tt -68.35 -34.21 64.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.683 -0.235 . . . . 1.22 110.709 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 144' ' ' LYS . 87.3 t80 -55.35 -56.46 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.86 110.625 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.585 HG21 ' HB2' ' A' ' 185' ' ' LYS . 17.5 p -70.62 -25.79 63.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.302 -0.408 . . . . 0.65 111.613 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.1 t -63.44 -40.16 96.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.537 0.684 . . . . 1.3 109.342 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 79' ' ' VAL . 40.3 mtp180 -67.9 -30.34 69.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.407 -0.815 . . . . 1.69 109.972 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 72' ' ' TYR . 97.8 t -66.45 -37.11 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.273 -0.421 . . . . 0.78 110.485 175.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.23 -38.27 76.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.148 0.499 . . . . 1.87 109.915 174.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.473 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 7.8 m -62.27 -47.93 82.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.679 -0.691 . . . . 1.25 110.536 173.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 75' ' ' ARG . 3.5 t -62.43 -25.09 36.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-N 115.902 -0.59 . . . . 1.4 110.944 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HA ' HG13 ' A' ' 192' ' ' ILE . . . -57.53 -36.86 72.14 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.678 0.275 . . . . 1.45 111.368 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -76.53 -41.48 46.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.124 0.964 . . . . 1.96 109.672 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.955 ' HA ' ' HE2' ' A' ' 85' ' ' LYS . 7.5 mm-40 -68.81 -12.0 61.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.192 -1.367 . . . . 2.42 111.886 -177.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.542 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 27.1 m -51.78 -37.55 51.89 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 122.91 0.484 . . . . 3.15 111.887 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 206' ' ' LYS . . . -62.19 -47.28 90.89 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.068 -1.063 . . . . 4.2 111.506 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.955 ' HE2' ' HA ' ' A' ' 82' ' ' GLU . 2.9 mppt? -57.79 -26.64 62.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.263 -0.468 . . . . 4.88 111.828 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.718 HD23 ' HB3' ' A' ' 133' ' ' LEU . 77.8 mt -53.29 -22.95 7.89 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.92 0.711 . . . . 5.71 112.92 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.615 ' CD1' ' HB3' ' A' ' 206' ' ' LYS . 17.3 mt -49.8 -26.0 3.56 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.122 0.786 . . . . 6.68 113.122 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 131' ' ' MET . 41.6 p -56.98 -32.76 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 8.18 111.062 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.46 94.06 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.365 -0.694 . . . . 8.78 111.365 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 7.8 mp -74.14 -44.37 53.96 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.978 -0.378 . . . . 8.69 109.978 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.36 74.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 10.13 111.424 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.46 -41.17 93.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.386 -0.37 . . . . 12.11 110.656 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.7 m -71.31 -30.65 66.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.229 -0.441 . . . . 11.17 110.917 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 90' ' ' LEU . 23.9 mmt180 -76.46 -16.49 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.224 -0.288 . . . . 11.37 110.224 177.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.2 t70 57.99 70.29 0.66 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.757 0.789 . . . . 13.64 110.335 -175.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.4 t -151.51 146.63 26.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.248 -0.887 . . . . 13.75 109.441 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -102.06 105.67 16.44 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.3 -0.63 . . . . 16.1 109.3 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -74.62 -29.31 61.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.887 0.375 . . . . 14.61 110.327 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -76.08 166.76 23.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 16.89 110.095 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -77.26 165.72 24.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.828 0.347 . . . . 14.47 110.626 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -76.54 -7.26 54.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.851 0.358 . . . . 17.73 111.38 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -126.83 123.05 36.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.131 0.491 . . . . 14.83 110.779 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -87.15 111.73 21.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.695 -0.684 . . . . 16.07 110.16 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.96 147.38 21.8 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.672 -0.775 . . . . 14.74 112.413 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.57 44.18 0.81 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.564 -0.614 . . . . 15.53 111.564 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -119.49 15.37 10.68 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.666 -0.778 . . . . 15.58 112.527 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.3 m -78.35 104.66 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.919 0.39 . . . . 15.74 110.356 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.94 -40.69 98.75 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.998 -0.546 . . . . 16.77 112.219 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.92 -154.42 21.53 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.639 -0.791 . . . . 17.08 112.423 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.1 t -134.67 104.77 6.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.854 0.359 . . . . 17.9 110.372 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 pp -85.1 -14.62 46.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.348 0.594 . . . . 16.88 110.049 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.58 ' HB2' HD21 ' A' ' 116' ' ' ASN . 53.4 mtt180 -76.48 118.61 19.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.553 -0.749 . . . . 15.45 109.39 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.24 -35.87 66.33 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 111.819 0.303 . . . . 17.68 111.819 -172.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.437 ' HD3' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -81.36 -174.28 4.83 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.883 0.373 . . . . 14.48 110.701 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.9 mt -59.61 125.86 16.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.77 -0.65 . . . . 11.8 111.133 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.58 HD21 ' HB2' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -91.07 151.05 42.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.322 -0.399 . . . . 11.37 110.458 178.117 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -69.08 -34.42 16.89 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.435 2.09 . . . . 10.68 110.561 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -81.1 9.77 6.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.017 -0.992 . . . . 10.74 111.642 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 116' ' ' ASN . 9.5 p -51.23 -24.25 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 122.891 0.476 . . . . 8.53 112.052 -176.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -56.79 -21.15 26.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.907 -0.588 . . . . 8.74 111.81 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 124' ' ' ASP . 24.0 m-80 -64.17 -28.64 69.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.985 0.421 . . . . 7.33 110.807 177.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.56 -35.29 78.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.209 -0.663 . . . . 7.24 109.209 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.445 ' O ' ' HB ' ' A' ' 126' ' ' VAL . 6.7 mt -65.7 -30.2 49.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.644 -0.707 . . . . 5.24 110.64 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 10.6 t70 -57.29 -39.28 75.4 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.062 0.458 . . . . 4.69 109.878 172.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.4 m -67.24 -33.91 76.34 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.091 -0.504 . . . . 4.02 110.4 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 207' ' ' LEU . 95.6 t -61.01 -33.53 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.19 0.519 . . . . 3.81 110.529 176.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 130' ' ' GLU . 5.5 mm-40 -67.0 -42.0 85.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.669 -0.696 . . . . 4.32 110.388 176.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 124' ' ' ASP . 27.5 mmtp -72.88 -45.22 59.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.723 -0.671 . . . . 4.42 111.909 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -62.05 -27.99 69.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.381 -0.827 . . . . 4.65 112.837 -171.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 14.7 pt-20 -55.14 -36.76 66.13 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.907 0.706 . . . . 3.16 112.907 -171.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.474 ' HA ' ' CB ' ' A' ' 88' ' ' SER . 64.7 mtt -63.47 -26.35 68.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.737 0.643 . . . . 3.28 112.737 -171.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -63.52 -33.55 75.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.166 0.508 . . . . 1.58 109.756 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.718 ' HB3' HD23 ' A' ' 86' ' ' LEU . 2.0 mm? -69.51 -33.4 72.77 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 113.434 0.901 . . . . 1.83 113.434 -174.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.21 -45.28 79.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.559 0.695 . . . . 3.67 109.195 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -68.72 -47.72 65.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.918 -1.037 . . . . 1.73 111.224 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.452 ' O ' ' HB ' ' A' ' 139' ' ' THR . 38.2 ttp -70.11 -38.21 75.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.335 0.494 . . . . 1.05 112.335 -172.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -43.39 88.51 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.181 -0.674 . . . . 1.44 109.181 176.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.59 -34.94 73.38 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.624 -0.51 . . . . 3.44 109.624 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 143' ' ' ASP . 91.5 m -61.77 -46.76 88.2 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 115.885 -0.598 . . . . 1.16 110.567 174.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 136' ' ' MET . 63.1 t -63.59 -49.51 82.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.55 -0.296 . . . . 1.15 111.597 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.74 -44.99 95.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.959 0.409 . . . . 1.45 110.797 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.424 ' HG3' ' HD3' ' A' ' 146' ' ' LYS . 22.9 tptm -66.75 -28.51 68.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.026 -0.534 . . . . 3.01 110.138 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 139' ' ' THR . 0.8 OUTLIER -62.69 -41.27 99.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.82 -0.627 . . . . 1.64 109.813 178.687 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 87.0 tttt -60.38 -44.38 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.46 -0.791 . . . . 1.8 110.112 176.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -66.42 -33.02 74.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.84 110.495 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.424 ' HD3' ' HG3' ' A' ' 142' ' ' LYS . 4.5 mptp? -65.61 -41.87 92.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.897 -0.592 . . . . 2.66 110.599 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.542 ' O ' HG13 ' A' ' 151' ' ' ILE . 72.5 mt -58.3 -44.18 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.59 109.756 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 144' ' ' LYS . 35.7 mt-10 -61.48 -32.31 72.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.851 -0.613 . . . . 2.39 111.545 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.94 -52.37 65.3 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.069 0.462 . . . . 2.47 110.221 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.487 ' HB ' ' CE2' ' A' ' 44' ' ' PHE . 61.8 m -66.24 -37.83 86.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.84 -0.618 . . . . 0.71 111.321 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 147' ' ' ILE . 80.9 mt -55.44 -45.5 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.843 0.354 . . . . 1.05 110.203 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.5 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.815 -0.63 . . . . 0.49 110.764 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 156' ' ' GLU . 55.5 m -60.1 -41.03 91.68 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.241 -0.436 . . . . 0.54 111.523 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.556 HD11 ' SD ' ' A' ' 47' ' ' MET . 4.8 mp -65.22 -42.0 93.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.699 0.285 . . . . 1.37 111.343 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -68.53 -30.71 69.57 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.574 -0.528 . . . . 0.78 109.574 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 153' ' ' THR . 5.5 mm-40 -59.61 -43.93 93.59 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.744 -0.662 . . . . 2.52 110.731 174.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.473 ' HB3' ' HZ ' ' A' ' 58' ' ' PHE . 63.2 m-85 -58.47 -44.69 89.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.047 0.451 . . . . 0.92 110.338 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.615 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 28.0 ttpp -67.01 -27.48 67.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 1.93 111.471 -177.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -87.88 -37.35 16.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.887 0.375 . . . . 3.78 110.807 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 14.2 mptt -67.55 -46.71 71.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.156 -0.475 . . . . 2.94 110.749 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.18 122.44 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.001 0.429 . . . . 1.97 110.74 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 19.5 m -75.36 -37.49 60.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 3.67 111.26 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -99.25 -46.31 2.04 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.863 -0.684 . . . . 3.19 112.037 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 70.43 63.19 3.33 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.033 -0.603 . . . . 2.95 112.885 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 25.7 t -81.35 -7.03 59.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.895 0.379 . . . . 3.61 110.769 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -84.65 5.34 28.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.486 -0.324 . . . . 3.62 111.698 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 94.92 39.21 4.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.663 -0.78 . . . . 1.32 112.589 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.615 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 9.3 p -62.49 -40.98 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.784 0.325 . . . . 1.5 111.557 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -64.86 -44.06 90.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 3.65 110.787 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -62.11 -47.49 84.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.931 -0.577 . . . . 1.37 109.965 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.851 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 71.0 t80 -60.75 -40.49 92.62 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.9 111.08 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.606 ' HB2' ' HD2' ' A' ' 158' ' ' LYS . 36.5 tt0 -61.25 -43.88 98.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.809 0.338 . . . . 2.38 110.801 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.56 -35.3 78.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.932 -0.577 . . . . 2.29 110.622 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.672 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 8.3 tpt180 -75.07 -39.99 60.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.356 -0.384 . . . . 3.45 110.819 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.566 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 32.9 ttpt -57.71 -53.86 53.43 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.406 -0.361 . . . . 1.22 111.062 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 6.7 pt-20 -53.14 -44.37 67.69 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.306 -0.407 . . . . 1.35 111.167 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -74.63 -35.19 62.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.664 0.269 . . . . 2.03 111.195 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.19 97.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.444 -0.344 . . . . 0.91 110.349 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 83.4 mt -65.01 -40.94 95.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.543 . . . . 1.63 110.23 177.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 176' ' ' GLU . 66.7 mttm -61.42 -47.57 85.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 3.14 110.516 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' THR . . . . . 0.532 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 49.9 m -60.83 -44.1 97.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 1.29 110.746 177.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.4 ttt -60.9 -40.27 92.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.66 110.67 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.99 76.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.71 111.305 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 180' ' ' LYS . 8.5 mtpm? -68.39 -48.2 65.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.966 0.412 . . . . 2.83 110.72 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.585 ' HB2' HG21 ' A' ' 73' ' ' THR . 13.9 ptpt -77.7 -7.49 56.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.349 -0.387 . . . . 2.06 111.702 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -66.19 -33.14 75.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.37 -0.377 . . . . 1.16 110.951 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 4.7 pp -65.15 -23.49 67.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 2.35 111.043 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -65.51 -44.53 86.69 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.722 -0.473 . . . . 2.76 109.722 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.94 -44.22 94.49 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.785 -0.643 . . . . 1.24 109.912 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.55 -41.73 81.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.508 -0.769 . . . . 2.24 110.587 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.94 -40.95 97.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.033 -0.531 . . . . 2.86 111.264 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' ILE . . . . . 0.568 HG13 ' HA ' ' A' ' 80' ' ' ALA . 1.7 mp -56.99 -51.85 63.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.844 0.354 . . . . 1.24 110.359 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 196' ' ' LEU . 16.3 p -70.55 -29.29 65.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 1.75 111.536 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.25 -53.05 62.34 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.345 -0.388 . . . . 3.84 110.809 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.57 -36.75 74.44 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.912 -0.586 . . . . 3.54 110.627 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.521 ' HA ' ' HB ' ' A' ' 200' ' ' ILE . 51.0 tp -56.72 -45.71 81.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.232 -0.894 . . . . 3.31 111.561 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 197' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 193' ' ' THR . 51.2 mtt180 -72.27 -38.19 68.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.322 -0.399 . . . . 6.05 112.019 -173.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -90.14 -59.22 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.626 0.602 . . . . 4.3 112.626 -171.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.45 -54.24 3.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.869 0.366 . . . . 5.29 111.633 -168.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 1.082 HG23 ' HA ' ' A' ' 206' ' ' LYS . 10.1 mt -64.29 -24.18 35.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.367 -0.833 . . . . 3.27 112.649 -174.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -43.96 -65.01 0.65 Allowed Pre-proline 0 CA--C 1.552 1.025 0 N-CA-C 117.186 2.291 . . . . 6.5 117.186 -165.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' PRO . . . . . 0.508 ' HD2' ' HB2' ' A' ' 205' ' ' GLU . 43.9 Cg_endo -73.19 -72.21 0.02 OUTLIER 'Trans proline' 0 CA--C 1.545 1.041 0 N-CA-C 119.545 2.864 . . . . 6.81 119.545 -153.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -114.72 -86.69 0.59 Allowed 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.898 1.681 . . . . 6.75 114.459 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.57 -22.6 32.3 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 114.177 -1.374 . . . . 6.12 110.147 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.508 ' HB2' ' HD2' ' A' ' 202' ' ' PRO . 7.6 mp0 -51.36 -24.68 4.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.135 -0.938 . . . . 9.31 111.568 -170.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 1.082 ' HA ' HG23 ' A' ' 200' ' ' ILE . 54.5 pttt -50.3 -48.54 55.08 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.188 0.44 . . . . 10.45 112.188 169.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.525 ' N ' ' HG3' ' A' ' 206' ' ' LYS . 15.2 tp -73.02 -24.25 60.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.189 -0.46 . . . . 7.6 110.798 -176.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.515 ' HA ' ' HB3' ' A' ' 211' ' ' LYS . 41.1 ttm180 -51.43 -31.57 23.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.96 -0.564 . . . . 9.48 111.877 -175.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -58.58 -45.66 88.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.43 0.633 . . . . 12.83 110.116 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.16 -28.02 35.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.574 -0.739 . . . . 10.85 109.755 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 211' ' ' LYS . . . . . 0.86 ' HA ' ' HB3' ' A' ' 214' ' ' PHE . 2.3 tmmm? -65.46 -17.51 64.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 10.09 110.397 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -55.25 -43.04 74.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.987 0.423 . . . . 12.5 110.193 173.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.89 -25.49 26.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.169 0.509 . . . . 13.01 110.446 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.86 ' HB3' ' HA ' ' A' ' 211' ' ' LYS . 89.6 t80 -64.27 -30.06 71.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.356 -0.838 . . . . 13.47 110.558 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 211' ' ' LYS . 78.1 mt -48.86 -56.76 7.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.757 -0.656 . . . . 11.97 111.77 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -79.94 -70.63 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.135 -0.626 . . . . 12.73 111.996 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -92.42 -85.18 0.26 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 112.851 0.685 . . . . 13.81 112.851 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 218' ' ' GLN . . . . . 0.463 ' C ' ' HA ' ' A' ' 214' ' ' PHE . 21.5 mm-40 -148.55 177.8 9.17 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.057 -0.52 . . . . 15.46 110.91 -174.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.67 -39.69 88.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.178 0.513 . . . . 15.41 109.682 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 10.3 t -137.16 146.19 44.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.758 -0.655 . . . . 17.57 109.965 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.723 -0.656 . . . . 17.45 110.362 -177.604 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.934 -0.466 . . . . 21.3 111.934 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -74.46 -27.31 60.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.729 0.299 . . . . 20.91 111.606 -177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.6 mmm -86.64 -22.76 25.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.591 -0.277 . . . . 18.53 110.947 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 4' ' ' ARG . 12.2 mmt180 71.0 150.39 0.09 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.954 0.784 . . . . 17.71 111.792 176.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.44 105.28 8.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.692 . . . . 14.57 110.524 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -78.04 133.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.104 -0.498 . . . . 12.18 109.721 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p -76.26 117.53 64.88 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.426 -0.352 . . . . 9.93 111.256 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.3 -36.1 88.95 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.797 2.331 . . . . 8.73 111.846 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -116.16 145.08 43.36 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.063 -0.972 . . . . 8.19 109.444 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 61.27 82.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.74 0.65 . . . . 6.67 110.728 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -96.46 169.31 9.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.635 -0.712 . . . . 6.27 110.179 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.4 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 4.0 p -100.06 117.09 63.91 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 121.108 0.48 . . . . 3.08 109.921 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 12' ' ' VAL . 32.3 Cg_endo -64.12 144.24 86.53 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.657 2.238 . . . . 1.71 111.767 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -63.21 -26.13 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.307 -0.406 . . . . 2.27 110.479 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.89 -44.89 67.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.469 -0.332 . . . . 2.13 111.012 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.32 -24.7 59.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 1.02 111.134 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -81.92 -42.76 19.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.066 -0.515 . . . . 2.23 110.143 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -66.54 -38.84 88.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 1.52 111.12 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.09 -27.91 69.09 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.872 0.368 . . . . 2.43 110.718 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.81 -36.91 76.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.514 -0.55 . . . . 1.99 109.514 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.422 ' HZ3' ' O ' ' A' ' 39' ' ' ALA . 21.7 m0 -66.23 -38.58 88.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.638 -0.71 . . . . 1.14 110.307 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -45.0 94.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.15 -0.477 . . . . 1.4 110.248 175.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.72 -45.01 95.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 3.34 110.143 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.673 ' HG3' ' HB ' ' A' ' 30' ' ' ILE . 41.6 tpp -56.17 -46.34 79.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.549 -0.75 . . . . 1.35 110.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD12 ' A' ' 71' ' ' ILE . . . -69.5 -48.43 60.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.005 -0.543 . . . . 1.17 112.01 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 p -69.81 -38.64 76.67 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.215 0.45 . . . . 1.45 112.215 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' OD1' ' HB2' ' A' ' 29' ' ' LYS . 37.0 t70 -76.18 -10.29 59.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 2.5 110.257 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.7 m120 61.61 27.67 17.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.551 -0.75 . . . . 2.34 109.802 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HB2' ' OD1' ' A' ' 27' ' ' ASP . 87.2 tttt -77.94 -8.8 58.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.987 -1.006 . . . . 3.29 109.971 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.673 ' HB ' ' HG3' ' A' ' 24' ' ' MET . 7.4 tt -70.79 85.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.832 0.825 . . . . 0.81 111.048 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.568 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 20.0 m120 -61.55 154.19 25.49 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.23 -0.896 . . . . 2.15 109.191 174.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.686 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -60.07 -34.15 73.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -175.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.14 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 1.24 111.146 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.568 ' ND2' ' HB2' ' A' ' 31' ' ' ASN . 10.6 p30 -110.42 15.97 21.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.98 -0.555 . . . . 1.45 110.202 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.686 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.1 t -70.78 -20.92 62.55 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.938 -1.134 . . . . 1.07 107.938 174.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.461 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 52.8 m95 -96.29 163.04 13.25 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.931 -1.486 . . . . 0.9 109.591 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 46.3 m-80 71.75 1.2 3.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.603 0.761 . . . . 2.37 111.309 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -110.27 105.79 14.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.391 -0.368 . . . . 1.61 110.749 175.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -123.34 116.07 22.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.706 -0.479 . . . . 1.04 109.706 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 68' ' ' CYS . 10.2 mt -75.54 -44.53 43.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.153 0.501 . . . . 1.62 111.769 -177.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.588 ' HA ' ' HB3' ' A' ' 44' ' ' PHE . 10.5 mm -66.74 -27.13 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.724 . . . . 1.81 111.389 -167.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -52.69 -45.0 66.64 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.043 0.449 . . . . 2.45 110.387 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -84.56 -31.69 24.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 1.91 110.767 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CE2' HG21 ' A' ' 150' ' ' THR . 40.9 t80 -66.41 -33.5 75.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 2.0 110.635 -177.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.483 ' NE2' ' HB3' ' A' ' 149' ' ' GLU . 0.2 OUTLIER -68.03 -44.47 76.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 1.33 111.883 -177.143 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 47' ' ' MET . 20.6 t70 -60.99 -28.96 69.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 2.94 111.045 -175.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.729 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 32.5 mtt 76.88 -41.19 0.39 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.357 0.873 . . . . 1.99 113.357 174.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -47.86 -37.65 14.39 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.738 0.644 . . . . 3.73 112.738 -173.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.7 tp -80.01 -33.17 39.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.333 0.494 . . . . 2.19 112.333 -170.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.1 tp -120.02 -19.87 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.382 0.512 . . . . 3.39 112.382 -169.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.729 ' HD3' ' HA ' ' A' ' 47' ' ' MET . 13.8 mptt -83.57 -179.87 7.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.954 0.407 . . . . 3.18 111.43 -175.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -96.71 78.44 2.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.773 -0.649 . . . . 2.55 109.946 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.56 -105.18 1.07 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.801 -0.714 . . . . 1.64 112.0 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.1 0.66 38.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.678 0.275 . . . . 2.87 111.06 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 8.5 t -134.27 -167.26 1.93 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.964 -0.384 . . . . 1.64 109.964 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.662 ' HB ' ' HG3' ' A' ' 51' ' ' LYS . 7.2 p -153.34 129.75 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-O 121.566 0.698 . . . . 0.63 110.552 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' C ' ' H ' ' A' ' 59' ' ' GLN . 49.7 t-20 -84.31 120.31 26.1 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 106.556 -1.646 . . . . 2.33 106.556 168.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.739 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 70.0 m-85 -67.57 4.7 0.98 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.651 -0.704 . . . . 0.82 111.104 -174.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 57' ' ' ASN . 29.5 tt0 -73.72 -59.61 2.64 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.343 0.592 . . . . 1.65 109.509 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -72.8 -26.92 61.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.309 -0.86 . . . . 2.25 110.095 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.739 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -62.97 -46.59 87.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.791 -0.641 . . . . 0.62 110.633 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.635 ' HB2' ' HD1' ' A' ' 171' ' ' PHE . 35.5 t -68.28 -40.39 81.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.406 -0.361 . . . . 1.13 110.656 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.3 t -55.81 -49.16 73.99 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.238 0.542 . . . . 0.99 110.564 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -73.22 -30.59 63.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.807 -0.633 . . . . 1.36 110.565 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.655 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 50.8 tp -63.01 -46.41 87.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.475 -0.329 . . . . 1.52 110.261 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.82 -45.6 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.287 0.565 . . . . 0.82 109.942 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.88 -42.25 86.41 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.402 -0.817 . . . . 0.56 113.133 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.655 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 31.3 p -69.22 -38.33 78.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.073 0.437 . . . . 1.16 111.838 -174.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.73 -36.04 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.554 -0.458 . . . . 1.54 109.931 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -67.42 -49.54 63.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 2.91 111.318 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.596 HD12 ' HB2' ' A' ' 25' ' ' ALA . 10.1 tt -67.17 -38.62 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.681 0.277 . . . . 1.22 111.591 -176.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -65.93 -39.38 90.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.674 0.273 . . . . 0.86 110.469 -178.403 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.444 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 12.6 p -76.17 -25.75 55.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.604 -0.271 . . . . 0.65 110.964 176.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 t -62.52 -34.18 76.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.41 -0.589 . . . . 1.3 109.41 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.557 ' NH2' ' HA ' ' A' ' 140' ' ' VAL . 58.9 mtm180 -68.33 -36.72 79.69 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.887 -0.597 . . . . 1.69 109.907 175.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.532 HG22 HD13 ' A' ' 189' ' ' LEU . 99.2 t -56.95 -44.25 82.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.178 0.513 . . . . 0.78 109.732 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.29 -27.49 69.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.741 -0.663 . . . . 1.87 111.013 176.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 m -67.69 -33.82 75.67 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.774 0.321 . . . . 1.25 110.574 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG11 ' CE ' ' A' ' 137' ' ' MET . 21.9 t -65.94 -40.4 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.253 -0.647 . . . . 1.4 109.253 173.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.35 -26.67 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.552 -0.749 . . . . 1.45 110.645 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.5 m -67.15 -32.12 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 1.96 109.982 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.33 -36.43 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 2.42 109.998 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.0 m -59.07 -36.97 75.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.391 0.615 . . . . 3.15 110.46 174.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.75 -25.44 75.54 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.639 -0.709 . . . . 4.2 112.344 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -59.42 -39.73 84.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.478 . . . . 4.88 110.35 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.531 HD11 ' HG2' ' A' ' 205' ' ' GLU . 8.0 mp -66.41 -39.99 89.31 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.821 -0.627 . . . . 5.71 110.549 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 69.0 tp -56.69 -44.32 81.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.902 -0.59 . . . . 6.68 110.706 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 m -59.71 -48.34 82.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.142 -0.481 . . . . 8.18 110.947 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.82 -45.31 58.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.937 -0.649 . . . . 8.78 112.942 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.71 -43.83 87.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.524 0.202 . . . . 8.69 111.282 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.43 95.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.842 0.353 . . . . 10.13 110.641 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.1 -19.94 66.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.541 . . . . 12.11 111.075 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.3 t -81.95 -6.83 59.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.925 -0.579 . . . . 11.17 110.987 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -124.4 -37.73 2.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.229 0.538 . . . . 11.37 110.439 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -132.42 107.27 8.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.57 -0.741 . . . . 13.64 109.688 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -121.57 -36.76 3.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.258 0.551 . . . . 13.75 109.897 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -122.97 -50.75 1.92 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.963 -0.562 . . . . 16.1 109.712 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -142.53 149.36 39.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.21 -0.904 . . . . 14.61 108.613 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -62.25 124.36 20.67 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.523 -0.547 . . . . 16.89 109.523 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.93 136.81 56.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.741 -0.466 . . . . 14.47 109.741 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -66.88 -17.83 65.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 17.73 111.899 -176.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 52.83 56.61 7.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.593 0.711 . . . . 14.83 110.706 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.73 140.17 45.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.138 -0.937 . . . . 16.07 110.662 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.9 4.18 59.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.646 -0.788 . . . . 14.74 113.005 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -82.0 -8.51 86.5 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.792 -0.718 . . . . 15.53 112.419 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 152.46 -161.13 29.32 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.875 -0.678 . . . . 15.58 111.795 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.8 m -100.66 115.59 30.59 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.932 0.396 . . . . 15.74 110.522 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.7 -36.16 2.87 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.24 -0.744 . . . . 16.77 111.24 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -146.09 40.58 1.06 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.982 -0.847 . . . . 17.08 110.982 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.9 m -105.57 4.99 30.95 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.677 0.275 . . . . 17.9 111.077 -176.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 51.0 mt -69.6 105.98 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.136 0.493 . . . . 16.88 111.015 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -95.69 165.93 12.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.833 -0.621 . . . . 15.45 109.618 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -71.01 155.65 40.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.692 -0.484 . . . . 17.68 109.692 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 139.78 58.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.585 -0.524 . . . . 14.48 109.585 177.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 95.3 mt -123.83 128.68 74.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.903 -0.589 . . . . 11.8 110.573 -172.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.414 ' HB2' HG23 ' A' ' 119' ' ' VAL . 80.0 m-20 -94.46 133.31 27.21 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.864 -0.607 . . . . 11.37 109.919 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.89 -36.29 98.89 Favored 'Trans proline' 0 CA--C 1.527 0.154 0 C-N-CA 122.613 2.209 . . . . 10.68 111.749 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -56.81 -27.02 59.28 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.684 -0.689 . . . . 10.74 111.755 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' A' ' 116' ' ' ASN . 52.6 t -59.82 -47.76 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.18 0.514 . . . . 8.53 110.252 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.49 ' HA ' HG12 ' A' ' 123' ' ' ILE . 23.3 mmt -77.79 -20.08 53.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.855 -0.611 . . . . 8.74 110.897 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -62.27 -42.95 99.78 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.233 -0.655 . . . . 7.33 109.233 172.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tpt -60.91 -34.49 74.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.063 -0.971 . . . . 7.24 111.315 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.49 HG12 ' HA ' ' A' ' 120' ' ' MET . 36.8 mm -55.3 -31.17 26.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.28 -0.418 . . . . 5.24 111.548 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -51.62 -33.49 33.44 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.099 0.475 . . . . 4.69 111.842 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.7 m -62.67 -27.31 69.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.826 -0.625 . . . . 4.02 111.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 203' ' ' LYS . 6.2 p -53.43 -30.58 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 113.077 0.769 . . . . 3.81 113.077 -169.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 130' ' ' GLU . 43.2 mt-10 -52.32 -29.22 22.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.381 0.511 . . . . 4.32 112.381 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -70.51 -32.31 69.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.14 0.495 . . . . 4.42 111.231 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.442 ' HB3' ' HD3' ' A' ' 206' ' ' LYS . 47.2 mttp -70.75 -23.72 62.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 4.65 112.396 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 202' ' ' PRO . 7.0 pt-20 -54.59 -25.47 26.52 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.25 0.463 . . . . 3.16 112.25 -175.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 24.1 mmt -54.72 -27.97 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.526 0.565 . . . . 3.28 112.526 -175.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.9 m -64.01 -37.82 88.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.979 0.419 . . . . 1.58 110.419 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 202' ' ' PRO . 0.2 OUTLIER -67.18 -42.59 84.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.835 -0.802 . . . . 1.83 108.835 177.739 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -60.42 -38.7 84.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.623 -0.717 . . . . 3.67 110.336 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -61.26 -45.41 94.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.05 -0.523 . . . . 1.73 110.737 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.516 ' CE ' HD22 ' A' ' 133' ' ' LEU . 59.2 mtm -68.97 -38.43 79.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 1.05 110.708 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.439 ' CE ' HG11 ' A' ' 79' ' ' VAL . 19.8 mmt -62.6 -38.44 90.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.103 0.478 . . . . 1.44 110.049 174.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -60.73 -38.15 84.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.5 -0.773 . . . . 3.44 110.26 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 28.1 m -62.15 -47.7 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 1.16 110.185 175.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.557 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 85.1 t -59.05 -50.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.779 -0.646 . . . . 1.15 111.038 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.89 -38.39 90.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.891 -0.595 . . . . 1.45 111.779 -176.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -59.4 -51.88 68.0 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.244 -0.182 . . . . 3.01 110.864 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.612 ' O ' HG13 ' A' ' 147' ' ' ILE . 5.1 m-20 -59.99 -44.32 94.6 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.998 -0.371 . . . . 1.64 109.998 177.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -53.75 -53.57 50.35 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.3 0.375 . . . . 1.8 111.386 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -62.88 -42.31 99.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.84 110.584 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -65.93 -31.28 72.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.556 . . . . 2.66 111.182 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.612 HG13 ' O ' ' A' ' 143' ' ' ASP . 74.5 mt -60.83 -50.73 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 110.394 -0.225 . . . . 0.59 110.394 176.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -55.62 -44.28 76.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.224 0.535 . . . . 2.39 110.376 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.483 ' HB3' ' NE2' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -61.05 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.344 -0.843 . . . . 2.47 110.357 178.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.63 HG21 ' CE2' ' A' ' 44' ' ' PHE . 53.8 m -66.69 -49.32 66.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.522 . . . . 0.71 111.347 -178.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.429 HD13 HD21 ' A' ' 179' ' ' LEU . 71.8 mt -59.41 -42.74 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.387 . . . . 1.05 110.449 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.43 95.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.315 -0.402 . . . . 0.49 110.906 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 41.5 m -64.69 -51.01 64.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.54 111.076 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.24 -33.08 74.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 1.37 110.83 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 20.0 t70 -62.0 -45.32 94.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.071 -0.513 . . . . 0.78 110.585 175.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.439 ' O ' ' HD3' ' A' ' 160' ' ' LYS . 49.1 mt-10 -69.7 -29.71 67.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 2.52 110.772 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -66.25 -30.67 71.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.928 0.394 . . . . 0.92 110.285 174.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 158' ' ' LYS . 9.3 mtpm? -73.19 -25.1 60.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 1.93 110.389 175.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 155' ' ' ASP . 77.6 mtt180 -73.14 -38.91 66.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 3.78 109.819 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 5.7 mptp? -66.79 -52.92 38.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.982 -0.554 . . . . 2.94 110.049 173.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -107.83 85.53 2.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 1.97 110.428 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 36.1 m -91.06 2.64 56.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.029 -0.532 . . . . 3.67 110.624 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -95.12 -151.94 28.84 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.892 -0.671 . . . . 3.19 112.215 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -103.05 40.22 2.51 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.918 -0.658 . . . . 2.95 112.603 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 26.6 t -66.59 -33.23 75.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.224 0.535 . . . . 3.61 110.052 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -146.68 -174.56 4.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 3.62 109.398 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.83 61.04 2.54 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.615 -0.803 . . . . 1.32 112.056 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 6.2 p -67.33 -50.01 61.77 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.164 0.431 . . . . 1.5 112.164 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -66.08 -42.32 89.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 3.65 110.627 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 57.6 ttp -61.01 -38.3 85.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 1.37 110.66 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.635 ' HD1' ' HB2' ' A' ' 62' ' ' SER . 92.4 t80 -66.0 -33.07 74.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.918 -0.583 . . . . 0.9 111.123 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.04 -45.88 76.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 2.38 110.439 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.34 -42.01 88.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.915 -0.584 . . . . 2.29 110.777 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -70.95 -31.84 68.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.155 -0.475 . . . . 3.45 111.117 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 27.0 ttmt -57.77 -55.15 38.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 1.22 110.791 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.88 -33.91 75.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 1.35 111.08 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -73.47 -42.6 61.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 2.03 110.726 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.99 99.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.91 110.528 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 87.0 mt -60.96 -39.31 89.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 1.63 111.005 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 184' ' ' LYS . 52.5 tptt -62.21 -46.2 89.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 3.14 110.373 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 19.8 m -66.64 -40.66 88.83 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.182 0.515 . . . . 1.29 110.717 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.9 -46.66 89.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 0.66 110.845 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -60.22 -35.34 75.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.71 111.727 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 180' ' ' LYS . 99.7 mttt -55.98 -51.89 66.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 2.83 110.977 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.427 ' HB2' HG21 ' A' ' 73' ' ' THR . 34.9 mmtp -76.71 -27.83 55.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.953 -0.567 . . . . 2.06 110.66 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' ASP . . . . . 0.442 ' HB3' ' HA ' ' A' ' 183' ' ' ALA . 31.8 t70 -66.35 -35.03 79.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 1.16 110.957 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 94.2 mt -60.73 -43.14 98.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.629 -0.508 . . . . 2.35 109.629 173.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -65.39 -40.15 93.1 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.753 -0.658 . . . . 2.76 110.106 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.532 HD13 HG22 ' A' ' 76' ' ' VAL . 52.9 tp -54.7 -43.93 72.96 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.846 0.355 . . . . 1.24 111.028 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.37 -40.95 96.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.446 . . . . 2.24 111.54 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -70.32 -45.74 65.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.24 0.543 . . . . 2.86 110.683 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' ILE . . . . . 1.053 HG23 HD12 ' A' ' 196' ' ' LEU . 45.2 mt -57.17 -51.5 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.323 -0.853 . . . . 1.24 111.308 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.496 ' O ' ' HB3' ' A' ' 197' ' ' ARG . 12.4 p -61.45 -47.42 85.78 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.848 -0.341 . . . . 1.75 111.116 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -62.44 -57.35 11.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 3.84 111.702 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.28 -53.22 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.482 0.549 . . . . 3.54 112.482 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 1.053 HD12 HG23 ' A' ' 192' ' ' ILE . 63.2 mt -70.57 -45.24 65.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.572 -0.286 . . . . 3.31 111.739 -170.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 197' ' ' ARG . . . . . 0.626 ' O ' ' HG2' ' A' ' 202' ' ' PRO . 0.0 OUTLIER -74.07 -26.37 60.34 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.816 -0.354 . . . . 6.05 110.934 -174.002 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.29 -47.51 85.71 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.086 -0.246 . . . . 4.3 111.373 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.589 ' O ' ' HE2' ' A' ' 203' ' ' LYS . 43.5 mt-10 -124.75 -63.27 1.19 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.728 1.01 . . . . 5.29 113.728 -175.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.591 HG13 ' H ' ' A' ' 201' ' ' GLU . 23.4 pt -78.69 -66.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 114.603 1.335 . . . . 3.27 114.603 -161.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.591 ' H ' HG13 ' A' ' 200' ' ' ILE . 0.3 OUTLIER -56.16 -53.48 63.15 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 114.503 1.297 . . . . 6.5 114.503 -166.653 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 202' ' ' PRO . . . . . 0.626 ' HG2' ' O ' ' A' ' 197' ' ' ARG . 65.7 Cg_exo -54.67 -49.63 16.13 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.235 1.956 . . . . 6.81 114.18 -172.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 203' ' ' LYS . . . . . 0.589 ' HE2' ' O ' ' A' ' 199' ' ' GLU . 0.0 OUTLIER -97.65 -60.1 1.64 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.535 0.568 . . . . 6.75 112.535 -175.101 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -68.27 -30.87 69.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.364 0.876 . . . . 6.12 113.364 -167.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.531 ' HG2' HD11 ' A' ' 86' ' ' LEU . 2.8 tm-20 -53.86 -56.2 19.78 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.126 0.489 . . . . 9.31 110.625 -177.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 129' ' ' LYS . 12.2 ptmt -67.19 -42.18 84.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.886 -0.597 . . . . 10.45 111.89 -174.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 21.5 tp -76.45 -44.94 33.51 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.061 0.393 . . . . 7.6 112.061 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.474 ' HA ' ' HB2' ' A' ' 212' ' ' ARG . 42.2 ttm180 -63.76 -40.28 96.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.565 -0.289 . . . . 9.48 111.337 -174.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.72 -50.36 72.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.085 0.469 . . . . 12.83 111.284 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.4 -54.54 4.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.019 -0.537 . . . . 10.85 112.137 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 211' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -78.9 -49.67 12.46 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.484 0.55 . . . . 10.09 112.484 -170.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.474 ' HB2' ' HA ' ' A' ' 208' ' ' ARG . 0.0 OUTLIER -68.76 -35.05 76.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.707 0.289 . . . . 12.5 110.492 -174.099 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -79.13 -59.89 2.59 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.803 -0.359 . . . . 13.01 111.515 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -77.56 -56.48 4.49 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.77 0.656 . . . . 13.47 112.77 -175.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 69.0 mt -74.75 -23.09 58.49 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.068 0.766 . . . . 11.97 113.068 -167.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.82 -54.95 20.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.921 0.391 . . . . 12.73 110.624 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -84.48 -41.04 16.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 13.81 111.653 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -105.39 152.96 22.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.353 -0.385 . . . . 15.46 110.674 -175.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -74.45 -42.1 59.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.995 0.426 . . . . 15.41 110.374 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 15.1 p -112.43 134.05 54.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 17.57 111.605 -177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.501 -0.761 . . . . 17.45 110.239 174.149 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 112.205 -0.358 . . . . 21.3 112.205 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -141.09 143.75 34.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.914 0.388 . . . . 20.91 111.039 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -14.57 37.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.102 0.477 . . . . 18.53 109.913 176.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -142.84 125.11 15.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.658 . . . . 17.71 109.783 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.75 139.72 47.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.964 0.412 . . . . 14.57 111.242 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.7 t -81.85 124.46 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.782 -0.644 . . . . 12.18 110.445 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.2 p -93.02 117.12 67.42 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.192 -0.458 . . . . 9.93 111.157 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.2 -12.53 17.35 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.586 2.191 . . . . 8.73 112.125 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.6 tpt -103.19 130.15 50.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.504 -0.771 . . . . 8.19 109.491 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -67.64 109.18 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.992 0.425 . . . . 6.67 110.393 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 11' ' ' ARG . 30.8 ttt180 -138.47 130.45 28.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.769 -0.65 . . . . 6.27 109.727 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -97.58 117.14 65.71 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 116.027 -0.533 . . . . 3.08 109.937 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 18.7 Cg_exo -66.19 103.42 0.63 Allowed 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.57 2.18 . . . . 1.71 111.426 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mm -63.64 -32.84 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.767 -0.651 . . . . 2.27 110.516 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.622 ' HA ' HD11 ' A' ' 49' ' ' LEU . 4.1 pp -67.01 -30.52 70.65 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.917 -0.313 . . . . 2.13 110.361 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.523 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -76.28 -32.92 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.07 0.462 . . . . 1.02 109.959 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -66.09 -44.15 85.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 2.23 110.145 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.36 -50.65 73.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 1.52 111.094 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 9.6 pt-20 -69.42 -27.09 64.97 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.866 -0.334 . . . . 2.43 111.025 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -64.7 -41.37 96.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.236 0.541 . . . . 1.99 109.545 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.561 ' HA ' ' HE2' ' A' ' 38' ' ' PHE . 38.6 m0 -65.23 -42.21 93.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.442 -0.799 . . . . 1.14 110.334 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.64 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -68.02 -38.83 83.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.968 -0.56 . . . . 1.4 110.373 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -58.5 -41.88 86.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.778 -0.646 . . . . 3.34 110.038 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.72 ' HG3' ' HB ' ' A' ' 30' ' ' ILE . 46.7 tpp -64.51 -47.32 79.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.217 -0.901 . . . . 1.35 110.592 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . . . -69.06 -51.75 35.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.785 -0.643 . . . . 1.17 112.391 -176.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -62.1 -39.13 91.47 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.56 0.578 . . . . 1.45 112.56 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.16 3.05 28.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.998 0.427 . . . . 2.5 110.59 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.6 t30 61.06 25.97 15.95 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.889 0.852 . . . . 2.34 110.179 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -80.78 -16.12 54.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.146 -0.934 . . . . 3.29 109.5 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.72 ' HB ' ' HG3' ' A' ' 24' ' ' MET . 6.3 tt -71.0 95.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.14 -0.936 . . . . 0.81 110.85 178.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.616 ' H ' HD22 ' A' ' 34' ' ' ASN . 21.1 m120 -71.27 159.87 33.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.817 -0.809 . . . . 2.15 108.817 173.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HA ' ' OG ' ' A' ' 35' ' ' SER . . . -62.67 -34.92 78.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.822 0.344 . . . . 1.0 111.317 -177.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.6 70.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.253 -0.43 . . . . 1.24 111.256 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.616 HD22 ' H ' ' A' ' 31' ' ' ASN . 13.2 p30 -110.96 14.53 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 1.45 111.125 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.486 ' HA ' HD11 ' A' ' 30' ' ' ILE . 67.4 m -72.15 -16.62 61.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.148 -1.056 . . . . 1.07 108.148 170.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.471 ' CZ2' ' HB2' ' A' ' 78' ' ' SER . 22.4 m95 -81.64 152.5 27.12 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 114.369 -1.287 . . . . 0.9 109.428 173.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 36' ' ' TRP . 7.2 t30 71.29 -2.18 2.48 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.179 0.925 . . . . 2.37 110.795 -173.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' HE2' ' HA ' ' A' ' 21' ' ' TRP . 11.7 m-85 -108.7 94.4 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.762 0.315 . . . . 1.61 110.76 175.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -136.12 117.09 14.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.088 0.47 . . . . 1.04 110.497 172.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.403 ' HA ' ' HD1' ' A' ' 43' ' ' TYR . 79.2 mt -73.28 -17.16 61.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.867 -0.606 . . . . 1.62 110.919 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.079 ' HA ' ' HD2' ' A' ' 44' ' ' PHE . 15.4 mt -62.62 -29.57 47.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.48 -0.782 . . . . 1.81 111.89 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.09 -29.66 70.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.877 0.37 . . . . 2.45 110.443 176.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.403 ' HD1' ' HA ' ' A' ' 40' ' ' LEU . 96.6 m-85 -73.23 -31.88 64.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 1.91 110.579 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 1.079 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 84.4 m-85 -65.19 -42.72 93.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.367 . . . . 2.0 110.693 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -75.83 -29.13 58.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.131 0.491 . . . . 1.33 110.394 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.94 -58.26 7.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.576 -0.738 . . . . 2.94 111.224 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 50.9 mtt 54.93 40.45 32.01 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.678 -0.692 . . . . 1.99 112.652 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 t -110.77 -32.7 6.77 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.13 -0.692 . . . . 3.73 109.13 169.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' A' ' 15' ' ' LEU . 8.4 tt -90.72 -52.12 5.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.599 -0.728 . . . . 2.19 110.128 178.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -73.45 -32.85 64.59 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.036 -0.529 . . . . 3.39 111.361 -175.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 47' ' ' MET . 47.6 tttp -86.51 126.43 34.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.98 -0.555 . . . . 3.18 110.149 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -122.13 101.5 7.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.03 -0.532 . . . . 2.55 110.4 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.25 -140.83 15.91 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.553 -0.749 . . . . 1.64 112.949 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.36 -29.41 59.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.987 0.422 . . . . 2.87 111.662 -173.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -131.21 -166.22 1.67 Allowed 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.569 -0.53 . . . . 1.64 109.569 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.58 130.52 56.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.311 0.577 . . . . 0.63 109.772 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 15.3 m120 -70.75 111.58 6.31 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.143 -0.935 . . . . 2.33 109.418 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.756 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 50.2 m-85 -70.76 -4.45 23.95 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.867 -0.606 . . . . 0.82 110.962 -176.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -72.01 -59.25 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.121 -0.696 . . . . 1.65 109.121 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 13.9 ptmm? -64.6 -27.69 69.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.315 -0.857 . . . . 2.25 110.073 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -66.87 -30.62 70.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.806 -0.634 . . . . 0.62 111.017 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.416 ' OG ' ' HG3' ' A' ' 174' ' ' ARG . 66.6 m -70.13 -40.52 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.445 -0.343 . . . . 1.13 110.399 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.6 t -61.11 -49.69 76.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.094 -0.503 . . . . 0.99 110.463 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.6 p -67.56 -26.41 66.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.456 . . . . 1.36 111.169 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HB2' HH21 ' A' ' 174' ' ' ARG . 3.4 tm? -65.29 -52.38 54.56 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.956 -0.387 . . . . 1.52 109.956 176.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.35 -42.09 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.82 110.191 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.589 ' HA2' ' HE2' ' A' ' 70' ' ' LYS . . . -65.59 -35.72 91.52 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.915 -0.66 . . . . 0.56 112.24 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.14 -53.27 52.16 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.578 0.351 . . . . 1.16 111.125 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.13 -37.05 76.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.32 0.581 . . . . 1.54 110.199 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.589 ' HE2' ' HA2' ' A' ' 67' ' ' GLY . 34.4 ttpt -65.7 -50.84 63.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.266 -0.879 . . . . 2.91 111.394 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.428 HD11 ' HB3' ' A' ' 38' ' ' PHE . 16.7 tt -72.76 -33.06 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 1.22 111.176 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.605 ' O ' HG23 ' A' ' 76' ' ' VAL . 33.2 t80 -57.79 -47.38 82.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.86 110.453 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.664 HG21 ' HB3' ' A' ' 185' ' ' LYS . 11.5 p -75.27 -27.89 59.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.359 0.503 . . . . 0.65 112.359 -175.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 p -70.94 -31.45 68.04 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.253 0.549 . . . . 1.3 109.823 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 75' ' ' ARG . 46.3 mtp180 -68.61 -31.78 71.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.647 -0.706 . . . . 1.69 109.917 173.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 192' ' ' ILE . 26.0 t -68.39 -35.3 70.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.2 0.524 . . . . 0.78 109.829 174.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -64.6 -28.94 69.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.869 0.366 . . . . 1.87 110.432 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.471 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 13.7 m -66.14 -48.81 69.57 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.184 0.516 . . . . 1.25 110.621 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.431 HG13 ' CH2' ' A' ' 36' ' ' TRP . 24.3 m -67.69 -28.28 41.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 116.171 -0.468 . . . . 1.4 110.567 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.588 ' HB2' HD13 ' A' ' 192' ' ' ILE . . . -58.3 -48.97 78.79 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.615 0.245 . . . . 1.45 111.431 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.5 m -61.76 -42.72 99.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.159 0.504 . . . . 1.96 110.196 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.57 -14.32 61.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.759 -0.655 . . . . 2.42 112.009 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.7 m -57.1 -39.25 74.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.688 0.28 . . . . 3.15 110.459 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.97 ' HA2' HG13 ' A' ' 200' ' ' ILE . . . -59.52 -26.05 61.63 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.939 -0.573 . . . . 4.2 112.514 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 88' ' ' SER . 29.9 mmtp -73.66 -29.84 62.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.66 0.267 . . . . 4.88 110.802 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.75 HD12 ' HB2' ' A' ' 130' ' ' GLU . 8.9 tp -61.57 -58.77 6.79 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 122.696 0.398 . . . . 5.71 112.04 -173.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.864 HD12 HG21 ' A' ' 200' ' ' ILE . 42.3 mt -71.33 -14.85 62.33 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.61 -0.436 . . . . 6.68 110.892 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.483 ' HB2' ' O ' ' A' ' 85' ' ' LYS . 69.9 m -59.79 -31.39 69.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.798 0.332 . . . . 8.18 110.328 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.731 ' HA2' ' HA ' ' A' ' 127' ' ' GLU . . . -70.3 -28.67 71.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 8.78 111.89 175.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 87' ' ' LEU . 3.9 mm? -77.9 4.16 12.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.412 0.285 . . . . 8.69 111.282 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.82 -37.01 73.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.583 -0.28 . . . . 10.13 110.973 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 96' ' ' SER . 21.5 t70 -60.51 -37.51 81.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.045 -0.525 . . . . 12.11 110.881 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 m -66.72 -29.86 69.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 11.17 110.888 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -89.05 -38.57 14.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.772 0.32 . . . . 11.37 111.142 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -142.19 113.2 7.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.161 -0.472 . . . . 13.64 110.15 -175.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 6.6 t -154.19 -34.22 0.1 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.885 0.374 . . . . 13.75 110.41 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -122.4 21.74 10.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 16.1 110.704 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -77.53 -29.32 52.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.267 -0.642 . . . . 14.61 109.267 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -67.13 168.72 9.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.218 -0.901 . . . . 16.89 110.087 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.68 150.06 36.37 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.514 -0.55 . . . . 14.47 109.514 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.927 ' HG3' ' HG3' ' A' ' 102' ' ' GLU . 34.4 ptt180 -55.84 -26.88 48.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 17.73 111.498 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.927 ' HG3' ' HG3' ' A' ' 101' ' ' ARG . 34.7 mt-10 -115.18 156.67 24.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.318 -0.401 . . . . 14.83 110.617 -176.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.36 27.31 6.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.165 0.507 . . . . 16.07 110.653 -177.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.7 -17.65 56.23 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.779 -0.724 . . . . 14.74 111.479 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.78 124.42 32.75 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 112.019 -0.432 . . . . 15.53 112.019 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.99 19.91 15.64 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.357 -0.697 . . . . 15.58 111.357 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.9 m 63.84 95.98 0.04 OUTLIER 'General case' 0 CA--C 1.527 0.095 0 CA-C-O 121.286 0.565 . . . . 15.74 111.102 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -88.73 62.43 3.68 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.792 -0.718 . . . . 16.77 111.896 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.87 -147.32 21.23 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.86 -0.686 . . . . 17.08 112.408 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.5 m -74.74 -28.49 60.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.783 0.325 . . . . 17.9 111.3 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 94.6 mt -79.92 92.33 5.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.351 0.596 . . . . 16.88 110.911 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -83.39 62.66 6.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.281 0.562 . . . . 15.45 110.747 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -89.21 0.88 56.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.462 -0.79 . . . . 17.68 110.326 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.611 ' H ' ' HD2' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -96.73 -171.53 2.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.882 -0.785 . . . . 14.48 108.882 174.3 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 115' ' ' ILE . 40.3 mt -49.5 115.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 O-C-N 123.48 0.488 . . . . 11.8 111.534 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.425 ' HB2' HG23 ' A' ' 119' ' ' VAL . 33.5 m-80 -87.61 139.82 31.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.478 -0.328 . . . . 11.37 110.379 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.11 -40.43 85.88 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.669 2.246 . . . . 10.68 112.356 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -63.17 -23.27 67.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.472 -0.331 . . . . 10.74 111.587 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.522 HG21 ' CG ' ' A' ' 216' ' ' ASP . 79.1 t -63.49 -45.4 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.161 0.505 . . . . 8.53 110.371 177.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.411 ' HA ' HG12 ' A' ' 123' ' ' ILE . 21.5 mmt -73.62 -21.87 60.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.759 -0.655 . . . . 8.74 110.439 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.442 ' O ' ' HB3' ' A' ' 124' ' ' ASP . 31.1 m-80 -68.96 -31.55 70.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.048 -0.524 . . . . 7.33 110.093 172.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.402 ' HE2' ' HB2' ' A' ' 122' ' ' MET . 69.7 mtm -69.68 -37.9 76.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 7.24 109.952 175.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.967 HD12 HD21 ' A' ' 207' ' ' LEU . 5.7 mm -70.56 -31.16 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.308 0.575 . . . . 5.24 109.768 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.489 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 22.7 t70 -53.65 -33.53 55.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.339 -0.846 . . . . 4.69 110.958 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.8 m -57.77 -42.36 83.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.904 -0.589 . . . . 4.02 111.398 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 123' ' ' ILE . 4.0 m -71.71 -32.93 46.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.069 0 N-CA-C 110.05 -0.352 . . . . 3.81 110.05 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.731 ' HA ' ' HA2' ' A' ' 89' ' ' GLY . 48.4 mt-10 -65.79 -42.0 91.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.933 -0.576 . . . . 4.32 111.018 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 124' ' ' ASP . 32.3 mmmt -65.71 -31.55 72.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.118 0.485 . . . . 4.42 111.116 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -62.44 -25.27 67.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.574 -0.739 . . . . 4.65 112.213 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.75 ' HB2' HD12 ' A' ' 86' ' ' LEU . 6.2 pt-20 -54.42 -32.2 56.82 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.93 0.395 . . . . 3.16 111.151 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.55 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 80.7 mtp -61.69 -38.03 86.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 3.28 110.346 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' A' ' 136' ' ' MET . 24.3 m -73.4 -41.19 63.63 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.821 -0.627 . . . . 1.58 111.161 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.574 HD12 HD22 ' A' ' 86' ' ' LEU . 3.2 tm? -61.19 -51.97 66.79 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.723 -0.217 . . . . 1.83 111.193 -175.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 131' ' ' MET . 60.3 pttt -65.4 -30.66 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.825 -0.35 . . . . 3.67 110.7 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -67.03 -43.87 81.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 1.73 109.873 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.517 ' O ' HG23 ' A' ' 140' ' ' VAL . 44.5 mtm -63.53 -46.04 87.85 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.211 -0.45 . . . . 1.05 110.824 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.411 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 13.7 mmt -55.12 -43.99 74.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.003 0.43 . . . . 1.44 110.721 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -64.47 -44.46 90.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 3.44 110.543 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 143' ' ' ASP . 91.1 m -58.81 -41.42 86.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 1.16 110.799 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 136' ' ' MET . 75.2 t -62.74 -43.04 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.173 0.511 . . . . 1.15 110.89 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 49.0 mt -73.52 -37.8 65.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.457 -0.338 . . . . 1.45 111.196 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.545 ' HA ' ' ND1' ' A' ' 145' ' ' HIS . 8.3 mtpm? -70.57 -28.52 64.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.019 0.438 . . . . 3.01 110.215 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.56 ' HA ' ' HG3' ' A' ' 146' ' ' LYS . 7.2 t70 -68.51 -31.48 70.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.445 0.64 . . . . 1.64 109.511 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.454 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 17.0 ttmm -61.11 -42.69 98.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.435 -0.802 . . . . 1.8 109.104 172.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.545 ' ND1' ' HA ' ' A' ' 142' ' ' LYS . 26.2 m170 -65.92 -30.13 70.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.162 -0.927 . . . . 0.84 110.517 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.56 ' HG3' ' HA ' ' A' ' 143' ' ' ASP . 38.2 mttp -57.69 -47.2 83.01 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.951 -0.388 . . . . 2.66 109.951 173.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 59.0 mt -59.93 -40.36 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.742 -0.663 . . . . 0.59 110.492 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -54.03 -47.95 71.03 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.973 -0.558 . . . . 2.39 110.47 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -63.16 -40.21 96.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.873 -0.603 . . . . 2.47 110.628 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.512 HG23 ' HB3' ' A' ' 44' ' ' PHE . 68.9 m -59.84 -51.46 69.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.71 111.302 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.17 -41.49 89.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 1.05 110.444 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.35 99.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.49 111.487 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 20.2 m -66.75 -45.5 78.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.533 -0.303 . . . . 0.54 110.634 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.3 -31.68 72.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.936 0.398 . . . . 1.37 110.643 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.562 ' O ' ' HB3' ' A' ' 158' ' ' LYS . 21.1 t70 -64.22 -37.8 88.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.01 -0.541 . . . . 0.78 111.033 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.524 ' OE2' ' HE2' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -77.6 -26.11 50.4 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.587 -0.445 . . . . 2.52 110.139 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.507 ' HA ' ' HD2' ' A' ' 160' ' ' LYS . 8.5 m-85 -66.28 -39.51 89.46 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.61 -0.515 . . . . 0.92 109.61 171.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 155' ' ' ASP . 19.8 ttpt -55.45 -38.71 69.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.333 -0.849 . . . . 1.93 110.173 172.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 156' ' ' GLU . 56.1 ttp180 -63.62 -47.22 82.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.503 -0.771 . . . . 3.78 110.768 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.524 ' HE2' ' OE2' ' A' ' 156' ' ' GLU . 23.5 mttm -63.22 -42.2 99.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.47 -0.332 . . . . 2.94 111.473 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -68.5 95.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.197 0.522 . . . . 1.97 111.05 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 9.7 p -96.41 -5.82 38.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.779 -0.646 . . . . 3.67 110.758 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 172.76 -176.22 45.65 Favored Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.637 -0.711 . . . . 3.19 111.546 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 70.63 29.17 69.92 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.974 -0.631 . . . . 2.95 111.799 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 39.0 t -165.15 135.57 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.981 0.419 . . . . 3.61 110.427 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -96.89 -11.55 24.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.44 0.638 . . . . 3.62 109.671 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -86.19 -4.28 84.13 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.204 -0.907 . . . . 1.32 112.686 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 1.5 m -66.3 -50.51 63.42 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.97 0.385 . . . . 1.5 110.956 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -72.67 -29.46 63.45 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.99 0.424 . . . . 3.65 110.365 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -67.15 -33.92 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 1.37 109.681 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.577 ' O ' ' HG3' ' A' ' 175' ' ' LYS . 73.2 t80 -61.81 -32.26 72.55 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.463 -0.789 . . . . 0.9 110.874 177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.419 ' HG3' ' HE2' ' A' ' 175' ' ' LYS . 36.3 tt0 -62.57 -49.17 76.32 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.131 0.491 . . . . 2.38 110.282 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -61.79 -30.07 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.664 . . . . 2.29 109.807 174.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.451 HH21 ' HB2' ' A' ' 65' ' ' LEU . 3.6 tmt_? -72.82 -29.6 63.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.285 -0.87 . . . . 3.45 110.916 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 171' ' ' PHE . 33.8 mtmt -64.7 -56.19 15.28 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.233 -0.654 . . . . 1.22 109.233 177.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.37 -34.0 77.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.267 -0.879 . . . . 1.35 110.802 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -58.25 -52.12 66.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 2.03 109.989 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.16 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.578 -0.737 . . . . 0.91 111.344 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 86.6 mt -56.72 -48.9 76.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 1.63 111.39 -176.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -68.7 -39.53 80.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.205 -0.452 . . . . 3.14 111.52 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 34.6 m -70.95 -40.93 71.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.197 0.523 . . . . 1.29 110.645 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 27.9 ttt -65.05 -42.73 93.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.769 -0.651 . . . . 0.66 110.639 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -66.86 -33.55 75.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.71 111.671 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 181' ' ' THR . 4.0 ptmm? -71.75 -40.79 69.11 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.6 0.714 . . . . 2.83 109.94 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.664 ' HB3' HG21 ' A' ' 73' ' ' THR . 45.4 mttp -73.94 -29.68 62.15 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.923 -1.035 . . . . 2.06 111.119 175.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.09 -31.32 72.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.034 -0.53 . . . . 1.16 110.971 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 93.0 mt -64.89 -34.64 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.989 -0.551 . . . . 2.35 110.52 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -70.37 -35.16 73.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 2.76 110.366 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.577 ' HG ' HG11 ' A' ' 76' ' ' VAL . 7.5 tt -59.94 -44.1 94.58 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.229 -0.656 . . . . 1.24 109.229 174.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -59.4 -43.18 93.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.525 -0.761 . . . . 2.24 110.668 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.77 -32.15 73.7 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.484 -0.326 . . . . 2.86 111.205 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' ILE . . . . . 0.611 HD12 HG12 ' A' ' 76' ' ' VAL . 20.4 mt -55.98 -52.28 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 1.24 110.218 175.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.643 ' O ' ' HG3' ' A' ' 197' ' ' ARG . 13.3 p -68.83 -42.24 77.46 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.769 -0.372 . . . . 1.75 111.198 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.78 -55.1 33.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 3.84 111.427 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.91 -43.59 74.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.516 . . . . 3.54 111.319 -174.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.482 ' O ' ' HB ' ' A' ' 200' ' ' ILE . 2.7 mm? -59.44 -27.8 66.39 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 111.962 0.356 . . . . 3.31 111.962 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' ARG . . . . . 0.643 ' HG3' ' O ' ' A' ' 193' ' ' THR . 65.3 mtp180 -53.42 -26.65 20.76 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.349 0.522 . . . . 6.05 111.212 175.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -106.86 -45.1 4.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.854 0.359 . . . . 4.3 110.474 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.63 -2.78 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.601 0.593 . . . . 5.29 112.601 -174.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.97 HG13 ' HA2' ' A' ' 84' ' ' GLY . 18.3 tt -78.08 -25.78 14.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.872 0.367 . . . . 3.27 110.042 177.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.558 ' N ' ' HD2' ' A' ' 202' ' ' PRO . 19.2 mm-40 -44.46 -42.64 14.16 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 115.518 1.673 . . . . 6.5 115.518 -172.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 202' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 201' ' ' GLU . 7.7 Cg_endo -51.65 -15.87 3.23 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.686 2.257 . . . . 6.81 114.215 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 203' ' ' LYS . . . . . 0.731 ' HG3' ' H ' ' A' ' 204' ' ' LEU . 15.2 pttp -40.57 -74.02 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.772 1.026 . . . . 6.75 113.772 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.731 ' H ' ' HG3' ' A' ' 203' ' ' LYS . 3.5 mm? -74.8 -28.75 60.85 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 121.105 -0.238 . . . . 6.12 111.447 -175.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.24 -46.01 88.91 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.835 0.35 . . . . 9.31 110.365 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 206' ' ' LYS . 15.8 tppt? -61.38 -54.46 43.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.92 -0.582 . . . . 10.45 110.475 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 123' ' ' ILE . 5.3 tt -57.09 -40.0 76.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.342 -0.844 . . . . 7.6 111.308 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.453 ' HG3' ' HD2' ' A' ' 212' ' ' ARG . 38.7 ttt180 -68.72 -50.36 51.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.616 -0.265 . . . . 9.48 110.909 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -68.6 -44.56 74.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.872 0.368 . . . . 12.83 111.544 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -83.71 -55.59 4.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.311 -0.404 . . . . 10.85 111.872 -172.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 211' ' ' LYS . . . . . 0.786 ' HG3' HD12 ' A' ' 215' ' ' LEU . 37.9 ttmt -78.31 -56.61 4.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.825 0.305 . . . . 10.09 111.825 -173.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.517 HH21 HG21 ' A' ' 123' ' ' ILE . 99.2 mtt180 -60.18 -53.31 59.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.741 0.305 . . . . 12.5 111.567 -174.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.888 ' HA ' ' HD2' ' A' ' 217' ' ' PHE . . . -63.9 -57.89 8.44 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.546 0.572 . . . . 13.01 112.546 -172.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.64 ' O ' ' HB2' ' A' ' 218' ' ' GLN . 73.4 t80 -73.7 -36.64 65.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.153 0.427 . . . . 13.47 112.153 -171.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.786 HD12 ' HG3' ' A' ' 211' ' ' LYS . 84.3 mt -78.68 -52.58 8.21 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.472 -0.491 . . . . 11.97 111.774 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 216' ' ' ASP . . . . . 0.522 ' CG ' HG21 ' A' ' 119' ' ' VAL . 18.9 t0 -78.72 -65.55 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.435 0.531 . . . . 12.73 112.435 -174.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 217' ' ' PHE . . . . . 0.888 ' HD2' ' HA ' ' A' ' 213' ' ' ALA . 42.4 m-85 -64.76 -40.31 95.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 13.81 111.753 -170.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 218' ' ' GLN . . . . . 0.64 ' HB2' ' O ' ' A' ' 214' ' ' PHE . 27.4 mm-40 -73.63 96.5 2.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.334 0.588 . . . . 15.46 111.02 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -89.69 -39.42 13.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.608 -0.723 . . . . 15.41 109.54 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 13.1 p -119.34 162.98 17.87 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.309 -0.86 . . . . 17.57 110.144 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 221' ' ' GLN . . . . . 0.414 ' H ' ' HG2' ' A' ' 221' ' ' GLN . 7.1 pt20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.967 -0.539 . . . . 17.45 111.221 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 112.023 -0.431 . . . . 21.3 112.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -159.73 102.21 1.5 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.4 -0.592 . . . . 20.91 109.4 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.6 ttm -92.79 -42.3 9.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.399 -0.364 . . . . 18.53 111.043 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -104.8 101.33 10.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.072 0.463 . . . . 17.71 111.06 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.53 113.41 25.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.847 -0.615 . . . . 14.57 110.26 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -104.51 116.76 48.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.063 -0.517 . . . . 12.18 110.39 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 23.9 p -103.16 134.7 19.63 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.273 -0.421 . . . . 9.93 110.327 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 7' ' ' THR . 5.7 Cg_exo -78.56 13.81 1.78 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 123.233 2.622 . . . . 8.73 112.638 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.6 tpt -115.24 85.56 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.857 0.36 . . . . 8.19 110.389 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 21.2 tptm 177.57 91.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.71 . . . . 6.67 109.872 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -163.54 142.99 8.34 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.893 -0.594 . . . . 6.27 109.592 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 61.4 t -67.33 125.48 91.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.545 -0.539 . . . . 3.08 109.545 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 12' ' ' VAL . 2.6 Cg_endo -46.71 119.25 3.13 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.334 2.689 . . . . 1.71 112.834 -177.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mt -61.31 -34.73 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.429 -0.805 . . . . 2.27 110.052 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 7.8 mp -62.5 -46.87 86.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.357 -0.838 . . . . 2.13 110.097 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.68 90.9 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.0 -0.545 . . . . 1.02 111.21 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -60.97 -44.78 96.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.073 0.463 . . . . 2.23 110.067 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.557 ' O ' ' HG2' ' A' ' 22' ' ' MET . 60.8 t80 -63.81 -39.85 95.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.594 -0.73 . . . . 1.52 110.755 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 27.2 mm-40 -59.1 -54.09 51.02 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.125 -0.489 . . . . 2.43 111.557 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.79 -35.05 79.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.886 0.374 . . . . 1.99 110.486 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.569 ' CZ3' ' HE1' ' A' ' 43' ' ' TYR . 9.7 m0 -58.99 -46.04 89.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.954 -0.566 . . . . 1.14 110.697 175.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 26.6 mmt -62.13 -43.25 99.25 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.296 -0.411 . . . . 1.4 110.371 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -59.46 -45.83 90.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 3.34 110.672 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.8 ttm -71.82 -40.07 69.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.97 -0.559 . . . . 1.35 111.234 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.57 -44.8 73.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 1.17 111.636 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -66.99 -35.46 80.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 1.45 111.408 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.76 -3.45 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.937 0.398 . . . . 2.5 110.688 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.9 m120 62.82 37.83 12.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.752 -0.658 . . . . 2.34 112.0 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -108.46 26.9 9.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.261 0.553 . . . . 3.29 111.047 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 35' ' ' SER . 5.1 tt -81.97 112.07 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.845 -0.616 . . . . 0.81 110.006 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.646 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 41.1 m-80 -69.35 146.2 52.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.02 -0.537 . . . . 2.15 109.819 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -66.96 -31.19 71.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.741 0.305 . . . . 1.0 111.179 -178.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.7 -48.32 77.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.19 0.519 . . . . 1.24 110.815 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.646 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 2.0 p-10 -99.14 14.93 27.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.965 -0.561 . . . . 1.45 111.018 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 20.5 t -66.31 -22.96 66.3 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.806 -1.183 . . . . 1.07 107.806 171.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -74.49 138.82 43.44 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.796 -1.093 . . . . 0.9 109.276 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 69.27 4.81 4.78 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.937 -1.029 . . . . 2.37 111.5 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -104.49 24.89 10.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.845 0.355 . . . . 1.61 110.478 177.302 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.9 119.66 20.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.239 0.542 . . . . 1.04 111.237 -175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.672 HD13 HG13 ' A' ' 71' ' ' ILE . 8.7 mp -70.45 -20.92 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.467 -0.788 . . . . 1.62 109.993 174.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.852 ' HA ' ' HD2' ' A' ' 44' ' ' PHE . 12.6 mt -65.79 -29.62 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 114.638 -1.165 . . . . 1.81 112.327 -170.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.75 -31.65 72.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 2.45 110.757 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' HE1' ' CZ3' ' A' ' 21' ' ' TRP . 67.0 m-85 -71.59 -29.36 64.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 1.91 112.021 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.852 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 73.9 m-85 -58.01 -34.03 69.58 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.633 0.234 . . . . 2.0 111.633 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CE1' ' HG2' ' A' ' 146' ' ' LYS . 33.2 m170 -66.3 -46.45 76.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.683 -0.235 . . . . 1.33 111.059 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.35 -50.76 71.6 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.552 -0.536 . . . . 2.94 109.552 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.1 ttt 71.52 -14.89 0.46 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.301 -0.863 . . . . 1.99 112.356 172.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -58.73 -26.07 63.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.478 0.548 . . . . 3.73 112.478 -174.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD22 ' HG ' ' A' ' 15' ' ' LEU . 64.3 mt -89.45 -9.45 50.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.944 0.402 . . . . 2.19 111.36 -175.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD21 HG21 ' A' ' 64' ' ' THR . 97.1 mt -111.76 -30.76 7.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.467 0.651 . . . . 3.39 110.018 178.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 29.0 ttpp -83.03 137.72 34.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.354 -0.839 . . . . 3.18 109.898 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -119.3 99.1 6.49 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.184 -0.673 . . . . 2.55 109.184 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.85 -114.0 3.74 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.774 -0.727 . . . . 1.64 111.898 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -102.75 -11.67 18.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.763 0.316 . . . . 2.87 111.112 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.4 t -127.47 163.59 23.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.742 -0.466 . . . . 1.64 109.742 -175.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 7.1 p -113.12 132.59 61.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.385 0.612 . . . . 0.63 111.335 -174.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.436 ' HB2' ' HG2' ' A' ' 60' ' ' LYS . 12.3 m120 -70.31 101.73 1.98 Allowed 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.082 -0.963 . . . . 2.33 109.852 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.707 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 61.0 m-85 -62.89 -10.31 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.82 110.418 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -71.82 -58.71 3.23 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.286 -0.635 . . . . 1.65 109.286 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HG2' ' HB2' ' A' ' 57' ' ' ASN . 7.2 ptpp? -71.61 -27.64 63.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.834 -0.621 . . . . 2.25 110.321 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.707 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -65.98 -44.03 86.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.62 111.304 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.725 ' HB2' ' HG2' ' A' ' 174' ' ' ARG . 55.9 p -66.09 -39.52 90.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.884 0.373 . . . . 1.13 110.466 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.88 -45.06 94.34 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.014 -0.539 . . . . 0.99 110.766 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.51 HG21 HD21 ' A' ' 50' ' ' LEU . 17.3 p -75.18 -28.9 60.24 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.326 -0.397 . . . . 1.36 111.67 -178.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' CYS . 50.4 tp -68.38 -43.31 77.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.098 0.475 . . . . 1.52 109.92 176.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.58 -46.59 85.17 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.842 -0.617 . . . . 0.82 110.303 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.459 ' O ' HG12 ' A' ' 71' ' ' ILE . . . -62.09 -32.11 81.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.388 -0.823 . . . . 0.56 111.764 176.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.616 ' SG ' HG12 ' A' ' 41' ' ' ILE . 51.8 t -60.2 -41.99 94.15 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.519 0.327 . . . . 1.16 110.563 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.06 -40.13 82.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.103 0.478 . . . . 1.54 110.106 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -66.67 -50.77 61.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 2.91 111.111 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.672 HG13 HD13 ' A' ' 40' ' ' LEU . 49.4 mm -60.96 -38.99 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.011 0.434 . . . . 1.22 110.877 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.601 ' HE2' HD22 ' A' ' 189' ' ' LEU . 46.6 t80 -58.41 -56.04 27.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.86 110.312 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 p -70.96 -26.16 63.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.015 -0.539 . . . . 0.65 111.531 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.3 t -59.89 -40.22 87.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.075 0.464 . . . . 1.3 109.878 174.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.0 mtp180 -73.03 -33.51 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 1.69 110.39 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 72' ' ' TYR . 56.1 t -61.65 -46.44 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.081 0.467 . . . . 0.78 109.992 175.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.43 -39.11 78.9 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.732 -0.667 . . . . 1.87 110.373 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.8 m -61.99 -38.26 87.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.086 -0.506 . . . . 1.25 110.873 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 75' ' ' ARG . 27.3 t -62.1 -48.56 87.91 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 N-CA-C 110.098 -0.334 . . . . 1.4 110.098 176.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.12 75.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 1.45 110.888 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 m -69.25 -33.58 73.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.877 -0.602 . . . . 1.96 110.302 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.407 ' OE1' ' HD2' ' A' ' 85' ' ' LYS . 15.2 tp10 -77.24 -31.85 55.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.079 0.466 . . . . 2.42 109.853 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.408 HG23 HD13 ' A' ' 200' ' ' ILE . 45.7 m -61.24 -44.58 97.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.656 -0.702 . . . . 3.15 110.011 175.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.65 -33.41 77.23 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.253 -0.885 . . . . 4.2 112.883 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 51.2 mttp -63.52 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.889 0.344 . . . . 4.88 111.241 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD13 ' HE2' ' A' ' 203' ' ' LYS . 63.5 mt -72.92 -38.44 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.86 0.362 . . . . 5.71 110.77 178.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.9 -38.95 76.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.024 -0.534 . . . . 6.68 110.452 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -67.97 -30.98 70.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 8.18 109.864 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.49 -26.93 67.11 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.994 -0.548 . . . . 8.78 112.572 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.514 HD21 ' HG3' ' A' ' 203' ' ' LYS . 96.7 mt -72.19 -40.4 67.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.118 0.485 . . . . 8.69 110.349 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.85 -8.33 59.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.747 -0.66 . . . . 10.13 111.137 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.85 -32.33 73.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 12.11 110.615 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 p -134.56 96.25 3.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.724 -0.671 . . . . 11.17 109.984 175.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -97.2 -19.7 18.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 11.37 111.417 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -106.46 111.48 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 13.64 110.731 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.4 m -103.18 8.37 38.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.98 -0.555 . . . . 13.75 110.665 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -77.76 79.78 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.355 0.598 . . . . 16.1 110.181 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -125.24 138.04 54.11 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.448 -0.797 . . . . 14.61 110.213 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -93.08 129.44 39.05 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 109.525 -0.546 . . . . 16.89 109.525 173.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -98.88 147.16 25.23 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.111 -0.495 . . . . 14.47 109.875 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -67.0 -36.79 82.94 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.308 -0.627 . . . . 17.73 109.308 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.37 111.23 12.83 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.954 -1.021 . . . . 14.83 109.863 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -79.61 -32.67 41.84 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.994 -0.548 . . . . 16.07 109.751 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 127.26 115.48 1.93 Allowed Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.416 -0.811 . . . . 14.74 111.493 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.34 141.91 47.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.0 -0.619 . . . . 15.53 112.506 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -74.89 -35.22 50.99 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.757 -0.735 . . . . 15.58 111.434 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.1 t 74.83 -44.97 0.56 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.812 0.845 . . . . 15.74 111.813 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.23 67.8 0.74 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.746 -0.74 . . . . 16.77 111.415 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 129.98 32.78 0.53 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.319 -0.712 . . . . 17.08 111.319 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.3 t -131.91 95.36 3.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.964 0.411 . . . . 17.9 110.014 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.05 -68.23 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.058 -0.519 . . . . 16.88 110.06 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 9.1 ptm180 -99.96 110.93 23.25 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.313 0.577 . . . . 15.45 109.751 173.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -78.77 79.66 5.17 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.361 -0.607 . . . . 17.68 109.361 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -170.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.553 -0.749 . . . . 14.48 112.718 -172.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.596 HD11 ' HE2' ' A' ' 217' ' ' PHE . 45.7 mt -78.46 118.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.101 -0.954 . . . . 11.8 110.742 -174.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -73.52 131.12 82.87 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.393 -0.595 . . . . 11.37 109.393 174.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.29 -21.06 58.59 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.621 2.214 . . . . 10.68 111.733 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -66.38 -26.03 67.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.61 -0.723 . . . . 10.74 110.874 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.587 HG11 ' HD3' ' A' ' 212' ' ' ARG . 86.9 t -65.89 -37.07 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.365 0.603 . . . . 8.53 109.934 177.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.51 ' HE1' HG21 ' A' ' 115' ' ' ILE . 0.5 OUTLIER -68.98 -13.13 62.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.584 -0.735 . . . . 8.74 111.541 178.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -71.34 -24.83 62.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.3 0.571 . . . . 7.33 109.516 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 53.5 ttp -74.47 -37.75 63.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.762 -0.654 . . . . 7.24 109.951 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.581 ' O ' HG22 ' A' ' 126' ' ' VAL . 46.9 mm -65.67 -29.06 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.335 -0.848 . . . . 5.24 110.581 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 16.9 t70 -49.39 -29.91 7.05 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.806 -0.634 . . . . 4.69 111.77 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.6 t -54.88 -49.64 70.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.07 -0.513 . . . . 4.02 111.117 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 123' ' ' ILE . 17.0 m -72.44 -30.83 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.561 0.22 . . . . 3.81 110.843 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.468 ' HG2' HD21 ' A' ' 204' ' ' LEU . 44.1 mt-10 -65.46 -52.26 54.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.424 . . . . 4.32 111.029 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 124' ' ' ASP . 21.7 ptmt -66.02 -35.92 81.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.335 -0.393 . . . . 4.42 111.185 -176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -69.09 -34.77 75.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.022 0.439 . . . . 4.65 110.35 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -63.52 -39.21 93.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.929 -0.578 . . . . 3.16 110.423 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.37 -32.74 71.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.626 -0.715 . . . . 3.28 110.622 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.1 m -66.81 -31.97 72.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 1.58 110.837 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.463 ' HB3' HD21 ' A' ' 196' ' ' LEU . 4.5 mm? -65.45 -46.71 78.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.971 0.415 . . . . 1.83 110.308 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.47 -39.6 88.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.768 -0.651 . . . . 3.67 109.813 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -56.73 -50.59 71.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.648 -0.705 . . . . 1.73 111.204 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 69.7 mtm -62.9 -37.68 87.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.738 -0.21 . . . . 1.05 111.06 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 12.2 mmt -58.41 -50.26 74.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 1.44 110.629 174.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -57.58 -36.76 72.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.204 -0.453 . . . . 3.44 110.665 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.435 HG22 HH22 ' A' ' 75' ' ' ARG . 54.5 m -66.86 -52.82 38.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.639 -0.709 . . . . 1.16 111.627 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.632 HG13 HD12 ' A' ' 141' ' ' LEU . 10.8 p -66.3 -39.32 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 120.989 -0.284 . . . . 1.15 111.56 -175.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.632 HD12 HG13 ' A' ' 140' ' ' VAL . 7.5 mp -65.27 -27.49 68.68 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.08 -0.388 . . . . 1.45 111.379 174.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -67.77 -33.55 75.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 3.01 109.841 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.513 ' HB3' HD12 ' A' ' 41' ' ' ILE . 7.6 m-20 -67.1 -31.39 71.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.031 -0.531 . . . . 1.64 110.432 175.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 141' ' ' LEU . 38.2 ttpt -58.74 -41.52 86.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.755 -0.461 . . . . 1.8 109.755 174.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.482 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 29.1 m170 -61.47 -39.26 90.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.705 -0.68 . . . . 0.84 110.656 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.53 ' HG2' ' CE1' ' A' ' 45' ' ' HIS . 87.0 mttt -59.75 -39.9 86.34 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.242 0.544 . . . . 2.66 110.117 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 143' ' ' ASP . 69.6 mt -61.82 -48.06 90.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.544 -0.753 . . . . 0.59 110.308 178.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 144' ' ' LYS . 63.1 mm-40 -53.33 -48.76 68.19 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.836 -0.62 . . . . 2.39 111.012 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 41.3 mt-10 -62.44 -46.59 87.86 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.62 -0.718 . . . . 2.47 111.143 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 24.3 m -64.23 -44.05 93.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.94 -0.573 . . . . 0.71 111.379 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.6 -46.37 90.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.602 0.239 . . . . 1.05 110.91 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.94 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.49 110.876 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.9 m -68.18 -49.57 60.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.54 110.693 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.13 -40.19 95.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.282 -0.417 . . . . 1.37 110.92 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.463 ' HA ' ' HE2' ' A' ' 171' ' ' PHE . 23.0 t70 -63.52 -29.58 70.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.961 -0.563 . . . . 0.78 110.772 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.89 -36.88 64.83 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.284 -0.416 . . . . 2.52 110.315 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -61.42 -46.11 91.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.636 -0.505 . . . . 0.92 109.636 172.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' ' 158' ' ' LYS . 11.9 ttpt -59.55 -36.86 77.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 1.93 110.855 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -64.28 -48.59 75.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.698 -0.683 . . . . 3.78 111.164 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -71.45 -28.7 64.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.681 0.277 . . . . 2.94 111.083 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -69.83 160.92 30.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.164 0.507 . . . . 1.97 111.052 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 15.8 m -76.91 133.97 39.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.752 -0.658 . . . . 3.67 110.505 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.494 ' HA2' HG21 ' A' ' 168' ' ' THR . . . -69.42 -26.61 74.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.948 -0.644 . . . . 3.19 112.587 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -80.95 -3.46 90.61 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.98 -0.629 . . . . 2.95 112.61 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 64.8 m -81.8 149.82 28.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.646 0.26 . . . . 3.61 110.378 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -73.47 135.26 44.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.414 -0.357 . . . . 3.62 110.115 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 109.95 -38.87 3.11 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.845 -0.693 . . . . 1.32 111.64 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.494 HG21 ' HA2' ' A' ' 163' ' ' GLY . 5.1 m -59.18 -49.32 78.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.061 0.458 . . . . 1.5 110.967 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -72.0 -33.03 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.868 -0.605 . . . . 3.65 110.21 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 58.4 ttp -63.7 -44.35 93.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 1.37 110.259 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.463 ' HE2' ' HA ' ' A' ' 155' ' ' ASP . 84.0 t80 -68.41 -44.04 75.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.014 -0.539 . . . . 0.9 110.914 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.86 -45.74 85.88 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.276 0.56 . . . . 2.38 110.12 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.65 -43.72 92.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.158 -0.928 . . . . 2.29 111.24 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.725 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 16.3 tpp180 -67.5 -38.0 83.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 3.45 111.049 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 36.2 ttpt -61.58 -51.57 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.602 -0.272 . . . . 1.22 111.071 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.03 -36.61 80.0 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.132 -0.227 . . . . 1.35 111.13 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.0 -41.7 74.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.731 0.3 . . . . 2.03 110.538 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.53 95.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.91 110.721 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 87.0 mt -67.24 -35.35 79.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.085 0.469 . . . . 1.63 110.589 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.77 -52.32 57.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 3.14 110.607 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' THR . . . . . 0.474 ' O ' ' HD3' ' A' ' 185' ' ' LYS . 13.2 t -71.16 -32.55 69.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.297 -0.41 . . . . 1.29 110.511 -178.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 26.6 ttt -60.6 -39.16 87.14 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.403 -0.221 . . . . 0.66 110.403 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ALA . . . . . 0.53 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -62.93 -38.68 91.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.876 0.37 . . . . 0.71 110.838 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -67.67 -41.3 83.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 2.83 110.819 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 181' ' ' THR . 5.0 mptp? -69.81 -35.18 74.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 2.06 110.391 176.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 189' ' ' LEU . 10.3 t70 -62.07 -34.04 75.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 1.16 110.892 178.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 93.2 mt -59.13 -48.74 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 2.35 111.086 178.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 188' ' ' LYS . 0.2 OUTLIER -77.68 -30.17 51.81 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.019 -0.272 . . . . 2.76 110.809 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.601 HD22 ' HE2' ' A' ' 72' ' ' TYR . 8.0 tp -56.18 -61.8 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 1.24 110.746 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -67.67 -25.88 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 2.24 110.904 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -61.18 -44.45 97.28 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.719 -0.475 . . . . 2.86 109.719 174.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.9 -40.51 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 1.24 110.489 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 5.4 m -60.24 -44.28 95.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.86 0.362 . . . . 1.75 111.213 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -69.27 -47.39 64.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.364 . . . . 3.84 110.76 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.7 tp -56.51 -43.52 79.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.936 -0.575 . . . . 3.54 110.605 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 133' ' ' LEU . 49.6 tp -55.04 -57.87 9.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.861 -0.609 . . . . 3.31 110.787 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -60.18 -33.95 72.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.433 -0.349 . . . . 6.05 111.571 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -82.08 -33.82 29.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.985 0.365 . . . . 4.3 111.985 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -96.36 -30.9 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.104 0.409 . . . . 5.29 112.104 -173.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.572 ' O ' ' HB3' ' A' ' 203' ' ' LYS . 5.8 tp -78.27 -25.85 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 3.27 111.055 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.45 ' N ' ' HD2' ' A' ' 202' ' ' PRO . 12.0 tp10 -64.78 -55.86 25.47 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 116.089 -0.505 . . . . 6.5 112.038 -177.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 202' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 201' ' ' GLU . 18.1 Cg_endo -60.15 -16.41 39.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 122.436 2.09 . . . . 6.81 112.671 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 203' ' ' LYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 200' ' ' ILE . 17.1 ttpp -54.78 -34.82 63.14 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.94 0.4 . . . . 6.75 110.727 175.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.468 HD21 ' HG2' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -71.01 -49.04 49.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 6.12 110.511 -178.687 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.77 -35.01 78.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.165 0.507 . . . . 9.31 109.967 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.83 ' HE3' ' HA ' ' A' ' 206' ' ' LYS . 0.4 OUTLIER -64.41 -58.0 7.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.399 -0.819 . . . . 10.45 111.297 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 25.2 tp -71.81 -47.6 52.23 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.184 0.438 . . . . 7.6 112.184 -176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.47 ' HB2' HG21 ' A' ' 123' ' ' ILE . 72.2 ttt180 -70.66 -52.63 19.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.078 0.399 . . . . 9.48 112.078 -172.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -70.63 -49.99 41.62 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.929 0.344 . . . . 12.83 111.929 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.8 -38.06 89.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.925 -0.58 . . . . 10.85 111.144 -173.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 211' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -57.79 -46.41 84.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 10.09 110.585 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.587 ' HD3' HG11 ' A' ' 119' ' ' VAL . 22.7 mmm180 -81.93 -25.7 34.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.346 -0.388 . . . . 12.5 111.087 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' ' 217' ' ' PHE . . . -68.59 -43.69 75.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.009 0.433 . . . . 13.01 110.438 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -73.41 -51.1 18.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.92 -0.582 . . . . 13.47 111.105 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 88.8 mt -79.34 -55.89 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.246 0.461 . . . . 11.97 112.246 -175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 216' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 212' ' ' ARG . 14.7 t70 -77.31 -59.07 2.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.498 -0.319 . . . . 12.73 111.493 -171.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 217' ' ' PHE . . . . . 0.596 ' HE2' HD11 ' A' ' 115' ' ' ILE . 8.7 m-85 -62.82 -65.47 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 13.81 112.027 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -80.41 75.56 7.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.837 -0.62 . . . . 15.46 111.403 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -73.2 -36.89 66.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.682 -0.69 . . . . 15.41 109.813 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 33.7 p -107.73 138.91 43.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.174 -0.921 . . . . 17.57 110.355 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.564 -0.731 . . . . 17.45 110.736 179.737 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.162 -0.375 . . . . 21.3 112.162 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 66.46 -80.67 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.386 0.674 . . . . 20.91 111.729 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -162.91 168.67 20.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.619 -0.511 . . . . 18.53 109.619 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 4' ' ' ARG . 16.2 tpt180 -125.26 135.91 53.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.701 0.286 . . . . 17.71 110.465 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.58 141.81 53.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 14.57 111.29 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -101.27 151.85 5.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.663 -0.699 . . . . 12.18 110.361 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -65.2 121.55 75.04 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.868 0.366 . . . . 9.93 110.821 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.93 -41.19 30.59 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.644 2.23 . . . . 8.73 112.543 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.2 tpt -103.77 83.98 2.21 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.677 -0.692 . . . . 8.19 110.94 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 1.8 tmtp? -173.2 98.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.415 -0.811 . . . . 6.67 108.832 175.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -124.8 -42.24 2.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.043 -0.526 . . . . 6.27 110.421 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -89.13 139.46 28.76 Favored Pre-proline 0 N--CA 1.444 -0.748 0 CA-C-N 116.027 -0.533 . . . . 3.08 110.076 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -57.76 141.28 95.6 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.519 2.146 . . . . 1.71 111.769 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mm -57.14 -38.58 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.948 -0.569 . . . . 2.27 111.51 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 16' ' ' ALA . 3.6 pp -58.68 -29.88 66.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.027 -0.533 . . . . 2.13 112.049 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -74.98 -28.59 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 1.02 111.238 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -70.7 -35.96 73.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.147 0.499 . . . . 2.23 110.045 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.455 ' O ' ' HG2' ' A' ' 22' ' ' MET . 37.2 t80 -76.23 -26.46 56.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.196 0.522 . . . . 1.52 110.171 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -67.14 -43.13 83.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 2.43 111.837 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.44 -32.72 74.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.066 0.46 . . . . 1.99 110.014 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -61.83 -39.06 90.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.703 -0.68 . . . . 1.14 110.659 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 29.0 mmt -66.85 -39.66 87.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 1.4 110.347 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.91 -36.9 85.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.157 0.503 . . . . 3.34 110.415 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.998 ' HG3' ' HG3' ' A' ' 29' ' ' LYS . 38.1 ttm -74.24 -38.81 63.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.12 -0.491 . . . . 1.35 110.918 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.79 79.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 1.17 112.2 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.3 p -59.69 -45.69 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.047 0.451 . . . . 1.45 111.403 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.43 -0.52 57.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.792 -0.64 . . . . 2.5 110.669 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 t30 55.88 39.46 30.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.166 -0.924 . . . . 2.34 111.111 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.998 ' HG3' ' HG3' ' A' ' 24' ' ' MET . 18.5 ptmt -91.56 20.74 5.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.047 -0.524 . . . . 3.29 110.44 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' A' ' 35' ' ' SER . 5.2 tt -80.18 114.74 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.604 -0.725 . . . . 0.81 110.084 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.418 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 45.0 m-80 -82.67 146.11 29.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.071 -0.513 . . . . 2.15 110.184 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.519 ' HA ' ' OG ' ' A' ' 35' ' ' SER . . . -62.51 -31.08 71.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.994 -173.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.31 75.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.899 0.38 . . . . 1.24 110.914 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 2.1 p-10 -111.42 13.56 21.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.41 -0.359 . . . . 1.45 111.662 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' HD11 ' A' ' 30' ' ' ILE . 69.5 m -63.96 -26.8 68.74 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.97 0.891 . . . . 1.07 108.745 171.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.45 ' O ' ' HB3' ' A' ' 37' ' ' ASN . 28.3 m95 -88.03 135.36 33.45 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.645 -1.161 . . . . 0.9 108.751 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 36' ' ' TRP . 28.7 t-20 80.23 0.25 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.768 1.293 . . . . 2.37 110.023 -171.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -105.17 23.39 13.73 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.867 -0.606 . . . . 1.61 109.733 172.369 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.23 119.44 14.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.246 -0.434 . . . . 1.04 111.128 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.641 HD13 HD13 ' A' ' 71' ' ' ILE . 7.2 mp -69.3 -25.24 64.13 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.875 -0.602 . . . . 1.62 110.926 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 44' ' ' PHE . 9.7 tp -59.62 -28.82 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 1.81 111.799 -174.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.1 -47.71 84.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.119 0.485 . . . . 2.45 110.157 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.431 ' HB3' HD21 ' A' ' 49' ' ' LEU . 86.8 m-85 -84.62 -30.67 24.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.524 -0.762 . . . . 1.91 111.303 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' HB3' ' HA ' ' A' ' 41' ' ' ILE . 21.9 t80 -59.81 -33.42 71.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.407 -0.36 . . . . 2.0 110.658 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -23.46 67.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 1.33 110.894 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 47' ' ' MET . 12.9 t70 -100.54 1.02 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.581 . . . . 2.94 109.582 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 63.6 mtt 73.07 176.28 0.27 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.243 -0.889 . . . . 1.99 111.541 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.5 m -52.36 130.33 30.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.678 -0.692 . . . . 3.73 111.072 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 43' ' ' TYR . 4.6 mm? -66.98 -18.85 65.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 2.19 111.313 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.01 23.6 4.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.37 -0.377 . . . . 3.39 110.836 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -70.18 169.43 13.63 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.65 -0.5 . . . . 3.18 109.65 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -105.1 96.93 6.87 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.902 0.382 . . . . 2.55 110.338 -176.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.74 -107.87 2.18 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.337 -0.705 . . . . 1.64 111.337 -175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -112.07 -2.8 14.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.431 -0.581 . . . . 2.87 109.431 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 t -88.89 149.66 23.24 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.585 -0.734 . . . . 1.64 109.129 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.55 131.36 71.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.577 0.703 . . . . 0.63 110.972 -173.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.694 ' HB2' ' HG2' ' A' ' 60' ' ' LYS . 6.3 m120 -80.41 113.85 18.88 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.948 -1.024 . . . . 2.33 108.381 177.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.5 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 47.4 m-85 -63.87 -11.26 26.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.417 -0.356 . . . . 0.82 111.076 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' HA ' ' HE1' ' A' ' 170' ' ' MET . 64.4 tt0 -72.54 -58.31 3.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.272 0.558 . . . . 1.65 110.014 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -68.89 -30.94 69.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.471 -0.786 . . . . 2.25 110.634 178.041 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' A' ' 154' ' ' LEU . . . -65.96 -38.08 87.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.62 110.203 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.0 t -57.68 -48.92 78.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.71 -0.677 . . . . 1.13 110.293 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.16 -40.64 96.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.99 110.838 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.2 m -63.03 -44.19 96.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 1.36 110.715 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.23 -50.45 73.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.016 0.436 . . . . 1.52 110.676 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.33 -40.39 86.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.642 . . . . 0.82 110.953 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.81 -35.67 90.0 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.849 -0.614 . . . . 0.56 112.518 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.4 m -62.52 -40.56 97.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.473 0.137 . . . . 1.16 110.892 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.31 -42.79 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 120.989 0.423 . . . . 1.54 110.628 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -60.91 -51.87 67.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.672 -0.694 . . . . 2.91 111.134 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.641 HD13 HD13 ' A' ' 40' ' ' LEU . 14.4 tt -72.39 -34.12 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.167 -0.469 . . . . 1.22 111.153 -176.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.466 ' HE1' ' O ' ' A' ' 140' ' ' VAL . 57.6 t80 -54.66 -53.31 56.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.953 0.406 . . . . 0.86 110.978 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.717 HG21 ' HB3' ' A' ' 185' ' ' LYS . 7.0 p -71.28 -28.83 64.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.086 -0.506 . . . . 0.65 111.378 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.9 m -70.4 -26.6 63.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.109 0.481 . . . . 1.3 110.461 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -72.57 -29.14 63.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.79 -0.448 . . . . 1.69 109.79 173.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.912 HG12 HG13 ' A' ' 192' ' ' ILE . 21.7 t -68.33 -40.24 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.613 0.72 . . . . 0.78 109.435 172.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.7 -36.85 72.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 1.87 109.829 171.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.9 m -69.89 -37.86 76.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.516 -0.765 . . . . 1.25 111.866 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 76' ' ' VAL . 13.9 p -63.93 -40.13 87.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 C-N-CA 120.41 -0.516 . . . . 1.4 110.553 -178.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB2' HG23 ' A' ' 192' ' ' ILE . . . -70.12 -31.71 69.38 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.558 -0.457 . . . . 1.45 111.265 176.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.514 HG22 ' HE2' ' A' ' 85' ' ' LYS . 87.4 m -59.8 -32.18 70.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.235 0.54 . . . . 1.96 110.094 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -70.06 -49.31 52.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 2.42 110.423 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.719 HG21 ' HB3' ' A' ' 199' ' ' GLU . 0.2 OUTLIER -59.92 -43.12 95.1 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.015 -0.539 . . . . 3.15 111.646 -175.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -56.92 -36.48 73.52 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.069 -0.586 . . . . 4.2 112.54 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.514 ' HE2' HG22 ' A' ' 81' ' ' THR . 51.4 mttm -72.95 -34.38 66.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.854 0.359 . . . . 4.88 110.785 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 84.3 mt -72.7 -45.55 58.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 5.71 110.378 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.801 HD11 ' HA ' ' A' ' 199' ' ' GLU . 89.6 mt -61.46 -35.67 78.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 6.68 110.668 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.2 t -57.75 -37.68 74.05 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.856 -0.611 . . . . 8.18 110.284 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -80.03 -32.42 35.99 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.007 -0.616 . . . . 8.78 112.189 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.684 HD21 ' HE2' ' A' ' 129' ' ' LYS . 82.0 mt -66.14 -29.65 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.647 0.261 . . . . 8.69 111.193 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.05 70.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 10.13 110.828 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -67.49 -29.2 68.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.812 -0.631 . . . . 12.11 110.722 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.0 t -76.32 -9.92 59.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.993 -0.549 . . . . 11.17 110.679 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -81.35 -28.07 34.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.971 0.415 . . . . 11.37 110.734 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.05 109.03 19.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.877 -0.602 . . . . 13.64 110.351 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.1 t -76.61 101.89 5.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.331 -0.618 . . . . 13.75 109.331 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 97' ' ' LYS . 37.0 ttmt -69.0 -47.33 65.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.059 -0.519 . . . . 16.1 110.387 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -69.61 119.48 13.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.285 -0.416 . . . . 14.61 109.916 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.23 116.98 5.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.044 -0.525 . . . . 16.89 110.724 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -78.11 145.12 35.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.852 -0.613 . . . . 14.47 110.2 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -74.37 -65.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.856 0.36 . . . . 17.73 110.386 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -151.38 120.85 6.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 14.83 110.756 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 t70 70.39 -66.13 0.29 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.624 -0.716 . . . . 16.07 111.777 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 133.35 -35.15 2.32 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.435 -0.666 . . . . 14.74 111.435 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.06 -169.77 23.21 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.398 -0.681 . . . . 15.53 111.398 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -105.97 -123.87 5.23 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.534 -0.841 . . . . 15.58 111.86 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.4 m -142.77 143.99 32.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.642 0.258 . . . . 15.74 110.368 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.59 -37.76 3.17 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.771 -0.728 . . . . 16.77 111.612 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 87.51 -128.12 8.83 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.978 -0.63 . . . . 17.08 111.839 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -81.0 -28.31 35.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.361 0.601 . . . . 17.9 109.714 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.33 95.89 5.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.296 -0.865 . . . . 16.88 109.908 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.518 ' HD2' ' HB2' ' A' ' 221' ' ' GLN . 44.4 mtm180 -108.2 -9.73 15.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.021 -0.536 . . . . 15.45 110.68 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -82.72 83.42 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.317 -0.994 . . . . 17.68 108.317 169.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.563 ' NZ ' ' HA ' ' A' ' 216' ' ' ASP . 0.0 OUTLIER -118.1 155.26 30.7 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.042 -0.526 . . . . 14.48 111.773 -169.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.411 HG23 HG11 ' A' ' 119' ' ' VAL . 79.3 mt -127.78 103.0 9.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.183 -0.673 . . . . 11.8 109.183 170.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -68.35 135.96 91.08 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.745 -0.661 . . . . 11.37 109.778 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.78 -27.77 54.21 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.695 2.263 . . . . 10.68 112.235 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.75 ' HG2' ' HG3' ' A' ' 122' ' ' MET . 36.0 ttpt -89.35 -4.19 58.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 10.74 111.358 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.594 ' O ' HG12 ' A' ' 123' ' ' ILE . 5.7 p -58.94 -38.04 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 121.227 0.537 . . . . 8.53 110.252 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.2 mmt -67.95 -44.07 77.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.497 -0.774 . . . . 8.74 110.558 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -71.24 -37.9 71.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.222 -0.899 . . . . 7.33 110.806 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.75 ' HG3' ' HG2' ' A' ' 118' ' ' LYS . 66.0 mtm -63.4 -45.1 92.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.359 -0.382 . . . . 7.24 110.612 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.926 HD11 ' HD3' ' A' ' 211' ' ' LYS . 20.5 mm -71.29 -31.22 43.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 C-N-CA 120.692 -0.403 . . . . 5.24 110.446 176.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.96 -31.58 63.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.075 0.464 . . . . 4.69 110.208 176.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 42.8 t -64.48 -48.4 75.36 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.608 -0.724 . . . . 4.02 110.905 176.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.569 ' CG2' HD23 ' A' ' 204' ' ' LEU . 28.6 m -71.42 -33.81 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.638 -0.425 . . . . 3.81 110.571 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.639 ' O ' ' HG3' ' A' ' 131' ' ' MET . 51.6 mt-10 -62.73 -41.73 99.32 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.28 -0.418 . . . . 4.32 111.885 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 125' ' ' SER . 15.3 ptmm? -69.79 -35.23 74.68 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.441 -0.504 . . . . 4.42 110.769 -177.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.684 ' HE2' HD21 ' A' ' 90' ' ' LEU . 10.5 mtmp? -72.74 -41.91 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 4.65 111.728 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 127' ' ' GLU . 0.5 OUTLIER -63.34 -25.88 68.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.527 -0.306 . . . . 3.16 111.343 -177.334 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.639 ' HG3' ' O ' ' A' ' 127' ' ' GLU . 66.1 mtt -52.91 -46.12 67.89 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.923 -0.581 . . . . 3.28 111.442 -174.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -72.95 -50.87 20.88 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.93 -0.308 . . . . 1.58 110.52 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 133' ' ' LEU . 4.1 mm? -59.75 -47.47 85.56 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.308 0.485 . . . . 1.83 112.308 -174.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -62.93 -50.28 71.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 3.67 110.418 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -54.69 -46.6 74.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.452 -0.794 . . . . 1.73 111.389 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.403 ' CE ' ' HA ' ' A' ' 79' ' ' VAL . 33.5 mtp -66.13 -45.07 82.35 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.773 0.286 . . . . 1.05 111.773 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.516 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 11.8 mmt -61.59 -48.08 82.57 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.119 0.485 . . . . 1.44 110.336 175.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.0 -43.92 91.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.686 -0.688 . . . . 3.44 110.862 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 90.7 m -58.77 -48.59 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 1.16 111.868 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.616 ' HA ' ' HB2' ' A' ' 143' ' ' ASP . 16.7 m -70.46 -32.02 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 120.68 -0.408 . . . . 1.15 111.656 -178.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 137' ' ' MET . 69.8 mt -65.98 -47.77 73.45 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.325 -0.55 . . . . 1.45 110.308 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 146' ' ' LYS . 75.4 mmtt -62.85 -29.02 70.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.32 0.581 . . . . 3.01 109.983 175.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 140' ' ' VAL . 0.2 OUTLIER -61.28 -47.43 86.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.217 -0.901 . . . . 1.64 110.052 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.07 -41.63 83.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.659 -0.7 . . . . 1.8 110.441 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -60.31 -40.03 89.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.968 -0.56 . . . . 0.84 110.768 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.41 ' HB2' HG12 ' A' ' 41' ' ' ILE . 61.8 mttp -70.74 -37.39 73.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 2.66 110.67 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.545 ' O ' HG13 ' A' ' 151' ' ' ILE . 80.2 mt -58.28 -52.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.239 -0.437 . . . . 0.59 110.262 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.2 -37.69 78.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.179 -0.464 . . . . 2.39 110.787 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.75 -47.16 87.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 2.47 110.519 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 18.6 m -68.92 -36.28 77.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.71 110.872 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 147' ' ' ILE . 79.3 mt -58.48 -51.08 75.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-O 120.67 0.271 . . . . 1.05 110.437 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.14 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.49 110.787 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.751 ' O ' ' HG2' ' A' ' 156' ' ' GLU . 99.1 m -65.54 -42.1 92.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.934 -0.576 . . . . 0.54 111.174 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.494 HD21 ' HB1' ' A' ' 61' ' ' ALA . 17.7 tp -72.8 -28.14 62.4 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 121.798 -0.564 . . . . 1.37 109.988 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 158' ' ' LYS . 13.1 t70 -67.6 -35.27 78.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.62 -0.718 . . . . 0.78 110.472 177.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.751 ' HG2' ' O ' ' A' ' 153' ' ' THR . 10.4 pt-20 -75.09 -25.9 58.89 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.768 0.318 . . . . 2.52 110.249 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.448 ' HD2' ' O ' ' A' ' 153' ' ' THR . 12.3 m-85 -66.65 -44.71 81.19 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.335 -0.617 . . . . 0.92 109.335 169.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.497 ' HD3' ' HD2' ' A' ' 171' ' ' PHE . 24.6 ttpp -56.83 -37.41 71.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.014 -0.994 . . . . 1.93 110.22 176.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -60.56 -46.27 90.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 3.78 110.983 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -57.6 -50.11 74.2 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.278 -0.419 . . . . 2.94 111.022 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -77.01 97.71 4.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.995 0.426 . . . . 1.97 110.715 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 20.3 m -95.66 164.98 12.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.292 -0.413 . . . . 3.67 111.046 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 69.95 -155.37 53.19 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.923 -0.581 . . . . 3.19 112.374 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -101.75 33.27 6.63 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.987 -0.625 . . . . 2.95 111.541 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.1 p -76.49 -25.6 54.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.789 0.328 . . . . 3.61 111.123 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -143.79 -172.47 3.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.099 -0.5 . . . . 3.62 110.099 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.81 41.28 2.35 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.086 -0.578 . . . . 1.32 112.273 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 27.1 m -57.01 -51.55 68.79 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.395 0.678 . . . . 1.5 111.994 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -73.15 -33.89 65.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.827 0.346 . . . . 3.65 110.494 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' MET . . . . . 0.507 ' HE1' ' HA ' ' A' ' 59' ' ' GLN . 13.7 tmm? -65.63 -41.37 92.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 1.37 110.502 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.5 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 40.9 t80 -67.91 -35.48 78.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.9 110.584 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 176' ' ' GLU . 30.1 tt0 -66.39 -43.71 85.1 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.707 -0.479 . . . . 2.38 109.707 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 177' ' ' LYS . 56.1 m-20 -56.82 -42.91 80.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.758 -0.655 . . . . 2.29 109.865 173.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -62.91 -45.28 93.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.553 -0.749 . . . . 3.45 111.388 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -55.4 -47.0 76.55 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.112 0.257 . . . . 1.22 110.993 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 172' ' ' GLU . 28.5 mt-10 -52.9 -50.63 63.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.496 0.665 . . . . 1.35 110.387 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 173' ' ' ASP . 40.4 mmtm -67.95 -36.36 79.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.912 -1.04 . . . . 2.03 110.986 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -64.82 -51.31 62.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.366 -0.379 . . . . 0.91 110.763 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.81 -31.07 72.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 1.63 110.801 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 88.1 tttt -70.48 -51.18 30.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.513 . . . . 3.14 110.37 178.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 25.6 m -63.6 -34.47 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.101 0.477 . . . . 1.29 110.434 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.4 ttt -65.62 -34.29 77.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.66 110.239 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ALA . . . . . 0.528 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -75.44 -30.0 59.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 0.71 110.532 177.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 180' ' ' LYS . 74.6 mmtt -69.18 -46.64 66.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 2.83 110.282 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.717 ' HB3' HG21 ' A' ' 73' ' ' THR . 74.9 mmtt -77.8 -11.0 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.137 -0.483 . . . . 2.06 110.727 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' ASP . . . . . 0.528 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 9.0 t70 -58.78 -34.15 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 1.16 111.573 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 184' ' ' LYS . 4.6 pp -62.93 -23.93 67.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.536 -0.302 . . . . 2.35 110.746 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 192' ' ' ILE . 26.1 mtpp -73.58 -38.04 65.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.439 -0.346 . . . . 2.76 110.67 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.824 ' HA ' HG11 ' A' ' 76' ' ' VAL . 59.6 tp -64.37 -44.44 91.36 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.162 0.506 . . . . 1.24 110.024 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.08 -28.52 62.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.24 110.781 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' GLU . . . . . 0.475 ' O ' HD13 ' A' ' 195' ' ' LEU . 41.5 tt0 -65.9 -47.86 73.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.541 -0.299 . . . . 2.86 110.227 174.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' ILE . . . . . 0.912 HG13 HG12 ' A' ' 76' ' ' VAL . 31.0 mm -59.49 -38.21 74.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 1.24 111.128 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 196' ' ' LEU . 27.5 p -75.73 -31.05 59.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 1.75 110.754 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 194' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 197' ' ' ARG . 38.8 tt0 -63.89 -35.93 82.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.413 0.625 . . . . 3.84 109.885 171.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 191' ' ' GLU . 7.7 mp -72.93 -32.87 65.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 3.54 110.087 174.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.953 ' HA ' ' HB2' ' A' ' 199' ' ' GLU . 31.4 tp -56.9 -25.52 57.24 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.517 0.727 . . . . 3.31 110.704 174.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 197' ' ' ARG . . . . . 0.429 ' HB3' ' O ' ' A' ' 194' ' ' GLU . 52.6 ttp180 -51.92 -32.81 34.47 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.536 -0.302 . . . . 6.05 111.166 171.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 198' ' ' ASP . . . . . 0.542 ' C ' ' H ' ' A' ' 200' ' ' ILE . 23.6 t70 -105.32 -31.98 8.81 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.727 0.775 . . . . 4.3 109.675 175.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.953 ' HB2' ' HA ' ' A' ' 196' ' ' LEU . 59.9 mt-10 -72.6 26.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 125.107 1.363 . . . . 5.29 111.097 170.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.542 ' H ' ' C ' ' A' ' 198' ' ' ASP . 0.1 OUTLIER -34.4 -20.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 128.053 2.541 . . . . 3.27 117.557 -166.336 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.504 ' HB2' ' HD3' ' A' ' 202' ' ' PRO . 7.4 mm-40 -31.96 -49.76 0.5 Allowed Pre-proline 0 N--CA 1.488 1.441 0 N-CA-C 115.743 1.757 . . . . 6.5 115.743 -160.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 202' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 201' ' ' GLU . 77.6 Cg_exo -52.82 -14.45 3.47 Favored 'Trans proline' 0 C--N 1.363 1.297 0 C-N-CA 122.741 2.294 . . . . 6.81 114.261 174.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 203' ' ' LYS . . . . . 0.554 ' HG3' ' HG3' ' A' ' 206' ' ' LYS . 40.8 ttmt -64.67 -2.6 2.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.965 0.506 . . . . 6.75 111.086 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.569 HD23 ' CG2' ' A' ' 126' ' ' VAL . 1.9 tm? -58.67 -34.49 71.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.827 -0.435 . . . . 6.12 109.827 172.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -53.92 -40.04 66.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.505 0.669 . . . . 9.31 109.689 174.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.554 ' HG3' ' HG3' ' A' ' 203' ' ' LYS . 0.0 OUTLIER -73.58 -55.66 6.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.233 -0.894 . . . . 10.45 110.212 175.312 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 126' ' ' VAL . 22.2 tp -56.72 -37.28 70.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.697 -1.138 . . . . 7.6 112.577 -172.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 208' ' ' ARG . 42.2 ttm180 -56.23 -51.8 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 9.48 110.184 178.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -71.29 -46.09 61.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.118 0.485 . . . . 12.83 110.849 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 210' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 214' ' ' PHE . 35.1 tt0 -61.51 -55.38 31.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.248 -0.887 . . . . 10.85 112.347 -172.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 211' ' ' LYS . . . . . 0.926 ' HD3' HD11 ' A' ' 123' ' ' ILE . 49.0 tttp -70.5 -45.19 66.11 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.306 -0.557 . . . . 10.09 110.933 -175.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 212' ' ' ARG . 17.1 mtp180 -61.57 -62.06 2.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.603 -0.271 . . . . 12.5 111.145 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.615 ' HA ' ' CD2' ' A' ' 217' ' ' PHE . . . -74.32 -59.36 2.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.147 0.425 . . . . 13.01 112.147 -173.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.441 ' HB3' ' O ' ' A' ' 210' ' ' GLU . 55.0 t80 -68.04 -51.86 42.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.464 -0.335 . . . . 13.47 111.664 -172.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 211' ' ' LYS . 97.0 mt -79.64 -60.94 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.731 0.641 . . . . 11.97 112.731 -174.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 216' ' ' ASP . . . . . 0.563 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 15.6 m-20 -79.73 -53.6 6.65 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.85 1.056 . . . . 12.73 113.85 -171.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 217' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 213' ' ' ALA . 22.2 m-30 -60.65 -54.72 41.89 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.918 0.39 . . . . 13.81 110.959 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -75.67 170.9 15.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.84 -0.618 . . . . 15.46 110.508 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 219' ' ' GLN . . . . . 0.496 ' HG3' ' HB2' ' A' ' 112' ' ' ARG . 27.0 tt0 -92.54 -106.67 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.876 -0.33 . . . . 15.41 110.274 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 75.4 p 46.65 42.76 11.88 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.227 0.537 . . . . 17.57 111.794 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 221' ' ' GLN . . . . . 0.518 ' HB2' ' HD2' ' A' ' 112' ' ' ARG . 82.8 mm-40 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.327 -0.844 . . . . 17.45 110.563 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.464 -0.215 0 CA-C-O 120.752 0.23 . . . . 1.71 112.147 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.4 mm -59.56 -37.46 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 2.27 109.774 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.692 ' HA ' HD11 ' A' ' 49' ' ' LEU . 96.1 mt -58.33 -42.28 86.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.788 -0.642 . . . . 2.13 110.351 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.79 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.989 -0.551 . . . . 1.02 111.115 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -65.58 -34.33 77.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.302 0.572 . . . . 2.23 110.036 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.569 ' O ' ' HG2' ' A' ' 22' ' ' MET . 73.0 t80 -69.84 -40.32 75.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.87 -0.605 . . . . 1.52 109.991 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 54.4 mm-40 -61.5 -46.15 91.22 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.947 -0.569 . . . . 2.43 111.729 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' MET . 11.0 pt-20 -64.02 -40.77 97.08 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.043 -0.263 . . . . 1.99 110.482 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -60.32 -40.47 90.69 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.424 -0.353 . . . . 1.14 110.887 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 28.1 mmt -64.67 -46.06 84.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.101 -0.5 . . . . 1.4 110.19 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -59.39 -41.45 89.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 3.34 110.598 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.676 ' HA ' ' HB3' ' A' ' 29' ' ' LYS . 85.4 mmm -61.56 -50.15 73.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.778 -0.647 . . . . 1.35 110.669 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.16 62.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.575 0.583 . . . . 1.17 112.575 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -66.04 -40.33 90.9 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.379 0.511 . . . . 1.45 112.379 -172.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 5.62 47.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.112 -0.495 . . . . 2.5 111.719 -173.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 59.74 25.49 14.5 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.552 0.691 . . . . 2.34 109.774 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.676 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 87.1 tttt -75.81 -24.72 55.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.021 -0.991 . . . . 3.29 110.026 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.595 ' HB ' ' HB3' ' A' ' 24' ' ' MET . 10.7 tt -71.07 101.69 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.31 -0.859 . . . . 0.81 110.946 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -68.37 165.36 18.9 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.989 -0.551 . . . . 2.15 110.227 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.56 66.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.709 0.633 . . . . 1.0 112.709 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.06 -33.21 70.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.552 . . . . 1.24 111.19 -177.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -110.9 16.37 21.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.699 -0.682 . . . . 1.45 111.346 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.509 ' HA ' HD11 ' A' ' 30' ' ' ILE . 96.1 p -71.86 -12.08 61.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.344 -0.984 . . . . 1.07 108.344 172.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -85.55 159.41 19.9 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 114.121 -1.4 . . . . 0.9 109.72 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 69.06 0.71 2.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.193 -0.912 . . . . 2.37 110.834 -171.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -107.83 101.29 10.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.208 -0.451 . . . . 1.61 109.893 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.21 118.46 19.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.99 0.424 . . . . 1.04 110.399 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.22 -17.5 62.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.895 -0.593 . . . . 1.62 110.726 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.465 HD11 HG12 ' A' ' 147' ' ' ILE . 48.6 mm -57.4 -28.98 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.456 -0.793 . . . . 1.81 111.232 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.06 -46.17 68.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.05 0.452 . . . . 2.45 110.624 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -83.86 -30.34 26.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.697 -0.683 . . . . 1.91 110.712 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' HA ' HD21 ' A' ' 50' ' ' LEU . 1.4 t80 -72.16 -46.52 56.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.595 -0.729 . . . . 2.0 110.518 -172.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -53.27 27.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.0 -0.545 . . . . 1.33 110.549 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -96.33 96.51 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.94 109.521 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.708 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . 66.9 mtt -67.78 85.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.82 -0.627 . . . . 1.99 111.125 -176.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -109.9 -70.75 0.79 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.49 -0.777 . . . . 3.73 110.291 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.692 HD11 ' HA ' ' A' ' 15' ' ' LEU . 10.0 tt -66.73 -44.1 82.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.513 -0.767 . . . . 2.19 111.251 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 44' ' ' PHE . 2.2 pp -85.8 0.53 52.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.14 0.422 . . . . 3.39 112.14 -174.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 47' ' ' MET . 39.2 ttpt -104.5 125.09 50.35 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.84 -0.43 . . . . 3.18 109.84 177.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -99.69 91.21 4.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.126 0.489 . . . . 2.55 110.019 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.73 -132.52 11.2 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.639 -0.71 . . . . 1.64 111.996 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -89.64 -4.61 57.71 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.061 0.458 . . . . 2.87 110.949 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.0 p -134.45 160.1 39.03 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.166 -0.47 . . . . 1.64 109.936 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 50' ' ' LEU . 11.2 p -108.86 128.94 64.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 122.049 0.928 . . . . 0.63 109.983 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 59' ' ' GLN . 51.0 t-20 -71.88 121.61 19.34 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 106.686 -1.598 . . . . 2.33 106.686 172.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.751 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 30.4 m-85 -66.36 3.51 0.92 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.117 0.485 . . . . 0.82 110.872 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 57' ' ' ASN . 9.0 tt0 -72.43 -49.21 35.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.684 -1.228 . . . . 1.65 107.684 172.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 43.7 mmtm -60.38 -46.92 88.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.38 -1.282 . . . . 2.25 109.716 173.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -59.8 -47.46 85.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.379 -0.828 . . . . 0.62 111.659 -177.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.729 ' HB3' ' HG2' ' A' ' 174' ' ' ARG . 51.6 m -66.44 -46.21 77.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.732 0.301 . . . . 1.13 111.063 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.84 -45.23 90.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.99 110.948 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 m -71.28 -38.38 71.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 1.36 111.103 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.4 -46.16 84.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.729 0.3 . . . . 1.52 110.445 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.46 -50.74 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.82 110.679 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.62 -33.62 86.68 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.956 -0.565 . . . . 0.56 112.241 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.63 -44.73 95.54 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 110.367 -0.235 . . . . 1.16 110.367 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.518 HG21 ' HB1' ' A' ' 178' ' ' ALA . 86.6 t -60.86 -37.56 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.007 0.432 . . . . 1.54 110.412 177.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -64.16 -51.51 63.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.803 -0.635 . . . . 2.91 111.108 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.8 tt -72.7 -35.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.719 0.295 . . . . 1.22 111.275 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.499 ' OH ' ' HB2' ' A' ' 144' ' ' LYS . 68.4 t80 -58.48 -47.44 84.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.068 0.461 . . . . 0.86 110.799 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.412 HG21 ' HD2' ' A' ' 185' ' ' LYS . 25.0 p -75.71 -25.46 56.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.059 -0.519 . . . . 0.65 111.425 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.1 m -70.62 -36.86 73.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.878 0.37 . . . . 1.3 110.057 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -65.22 -46.88 78.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 1.69 111.669 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.918 HG21 ' HG ' ' A' ' 189' ' ' LEU . 12.7 p -62.38 -35.01 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.279 0.561 . . . . 0.78 109.995 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.5 -37.37 83.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 1.87 110.374 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.1 m -65.87 -31.12 71.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 1.25 111.262 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.517 HG11 ' SD ' ' A' ' 137' ' ' MET . 13.7 t -62.25 -50.22 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.491 -0.559 . . . . 1.4 109.491 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.99 78.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.7 -0.682 . . . . 1.45 110.741 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.3 m -61.37 -48.3 81.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.046 0.451 . . . . 1.96 110.593 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 2.42 110.09 179.727 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.983 0.421 . . . . 4.42 110.646 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -67.23 -46.82 72.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.797 -0.638 . . . . 4.65 110.166 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.87 -50.23 71.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.659 -0.7 . . . . 3.16 110.512 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 67.1 mtt -61.78 -37.99 86.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.398 -0.819 . . . . 3.28 111.156 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 m -67.94 -34.57 76.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.673 -0.24 . . . . 1.58 110.773 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.03 -41.51 81.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.858 0.361 . . . . 1.83 110.496 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -61.37 -49.16 78.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.511 . . . . 3.67 110.047 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -61.97 -31.89 72.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.378 -0.828 . . . . 1.73 110.92 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 39.3 tpp -61.13 -53.21 59.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.188 -0.46 . . . . 1.05 110.072 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.517 ' SD ' HG11 ' A' ' 79' ' ' VAL . 87.1 mmm -65.58 -36.13 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.731 -0.668 . . . . 1.44 110.538 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.66 -39.64 81.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 3.44 110.199 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 68.6 m -65.83 -44.39 85.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.06 -0.518 . . . . 1.16 110.533 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.466 HG11 ' HB ' ' A' ' 76' ' ' VAL . 73.3 t -59.85 -46.25 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.017 0.437 . . . . 1.15 110.786 178.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 137' ' ' MET . 81.1 mt -65.65 -34.99 79.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 1.45 110.605 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.644 ' HG2' ' HE2' ' A' ' 146' ' ' LYS . 38.7 ttmt -61.3 -44.28 97.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.698 -0.683 . . . . 3.01 110.341 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . 0.549 ' O ' HG13 ' A' ' 147' ' ' ILE . 1.1 m-20 -58.57 -41.17 85.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.127 -0.488 . . . . 1.64 110.537 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.499 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 37.4 ttpt -56.13 -47.76 77.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 1.8 111.317 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.464 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 37.7 m80 -61.88 -37.95 86.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.138 0.494 . . . . 0.84 110.083 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.644 ' HE2' ' HG2' ' A' ' 142' ' ' LYS . 68.0 mttm -67.08 -37.4 83.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.695 -0.684 . . . . 2.66 111.176 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 143' ' ' ASP . 72.5 mt -59.98 -48.01 89.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.768 -0.456 . . . . 0.59 109.768 175.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.41 -44.96 85.02 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.47 -0.786 . . . . 2.39 111.056 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 46.4 mt-10 -60.32 -44.91 95.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.105 0.479 . . . . 2.47 110.887 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.5 m -70.51 -43.45 69.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.901 -0.59 . . . . 0.71 112.095 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 34.5 pt -63.28 -33.48 61.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.682 -0.407 . . . . 1.05 110.201 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.05 95.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.335 -0.393 . . . . 0.49 110.602 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 37.3 m -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.057 0.456 . . . . 0.54 110.684 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.402 HD13 ' HB1' ' A' ' 61' ' ' ALA . 70.7 mt -64.56 -33.28 75.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.028 -0.533 . . . . 1.37 110.726 177.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.89 -31.81 71.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.966 -0.561 . . . . 0.78 109.927 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.13 -43.84 90.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.955 -0.566 . . . . 2.52 110.219 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -59.34 -40.78 87.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.92 110.368 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.526 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 27.6 ttpp -70.29 -20.59 63.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.922 -0.581 . . . . 1.93 110.891 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -84.85 -38.71 19.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.976 0.417 . . . . 3.78 110.257 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.19 -42.6 55.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.074 -0.512 . . . . 2.94 111.16 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -80.95 134.17 35.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.908 0.385 . . . . 1.97 110.938 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 37.5 m -81.27 -27.39 35.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.066 -0.516 . . . . 3.67 110.705 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 128.16 43.1 0.24 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.685 -0.769 . . . . 3.19 112.101 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -78.05 -86.09 0.48 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.779 -0.724 . . . . 2.95 111.937 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 50.2 m -94.3 -27.85 15.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.978 0.418 . . . . 3.61 110.865 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.428 ' HB1' ' CD2' ' A' ' 58' ' ' PHE . . . -81.62 127.19 32.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.138 -0.483 . . . . 3.62 110.209 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -78.26 75.25 1.95 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.062 -0.59 . . . . 1.32 112.011 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.526 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 24.5 p -59.05 -44.39 91.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.967 0.413 . . . . 1.5 111.342 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -68.03 -41.28 82.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.942 -0.572 . . . . 3.65 110.573 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 60.9 ttp -63.22 -44.75 94.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 1.37 110.573 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.751 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 83.1 t80 -67.04 -34.67 78.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.9 111.158 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -54.55 -56.08 22.67 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.293 0.568 . . . . 2.38 110.176 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 177' ' ' LYS . 19.4 t70 -67.62 -31.71 71.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 2.29 111.277 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.729 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 4.7 tpt180 -74.54 -39.56 62.25 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.956 -0.298 . . . . 3.45 110.867 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 22.2 ttmt -59.55 -55.58 32.75 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.861 0.362 . . . . 1.22 110.091 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.56 -33.6 74.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.809 -0.632 . . . . 1.35 110.933 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 173' ' ' ASP . 0.1 OUTLIER -66.26 -45.22 81.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 2.03 109.952 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.518 ' HB1' HG21 ' A' ' 69' ' ' VAL . . . -68.77 -39.71 80.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.832 -0.622 . . . . 0.91 110.769 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 80.5 mt -67.18 -28.26 67.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 1.63 111.115 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -69.28 -43.72 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.757 -0.46 . . . . 3.14 109.757 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 32.2 m -65.54 -36.87 85.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.24 0.543 . . . . 1.29 110.134 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 25.2 ttt -63.99 -40.9 97.43 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.63 -0.714 . . . . 0.66 110.315 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -69.32 -35.27 75.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.71 111.116 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -58.27 -55.93 28.58 Favored 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 123.293 0.637 . . . . 2.83 111.025 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.412 ' HD2' HG21 ' A' ' 73' ' ' THR . 90.0 mttt -77.36 -11.03 59.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.049 -0.523 . . . . 2.06 111.236 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 18.2 t70 -61.25 -33.71 73.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.25 -0.432 . . . . 1.16 110.334 177.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.37 -37.82 87.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.79 -0.641 . . . . 2.35 110.242 176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 192' ' ' ILE . 84.8 tttt -73.67 -42.32 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 2.76 110.171 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.918 ' HG ' HG21 ' A' ' 76' ' ' VAL . 9.5 tt -61.54 -51.16 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.957 -0.565 . . . . 1.24 110.856 -178.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.18 -34.68 78.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.016 -0.273 . . . . 2.24 110.614 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' GLU . . . . . 0.517 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 7.3 tp10 -60.22 -51.7 68.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 2.86 110.219 177.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 188' ' ' LYS . 85.1 mt -56.32 -45.56 81.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.149 -0.478 . . . . 1.24 110.58 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 11.0 m -57.17 -47.75 80.44 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.05 -0.523 . . . . 1.75 110.943 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -67.44 -46.26 73.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.792 -0.64 . . . . 3.84 110.725 -176.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 83.2 mt -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.804 0.335 . . . . 3.54 110.739 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.475 0.655 . . . . 3.31 109.934 176.801 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.46 -0.471 0 N-CA-C 111.499 -0.231 . . . . 1.71 111.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.581 HG13 HD21 ' A' ' 49' ' ' LEU . 34.9 pt -68.49 -16.94 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.563 -0.289 . . . . 2.27 111.31 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -61.03 -44.76 96.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.917 0.389 . . . . 2.13 110.234 170.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . . . -74.84 -29.59 61.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.74 -0.663 . . . . 1.02 110.435 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 31.1 t30 -66.6 -43.33 85.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.707 -0.679 . . . . 2.23 110.0 174.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -71.69 -42.1 67.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 1.52 111.434 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.667 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 11.4 pt-20 -64.72 -32.45 74.14 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.903 -0.319 . . . . 2.43 110.173 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 24' ' ' MET . 7.0 tp10 -61.94 -46.39 89.51 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.332 -0.618 . . . . 1.99 109.332 175.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 39.3 m0 -59.91 -47.08 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.723 -0.671 . . . . 1.14 111.002 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.525 ' HA ' ' HE2' ' A' ' 22' ' ' MET . 29.6 mmt -59.59 -41.9 91.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 1.4 110.804 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -66.38 -50.64 62.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 3.34 110.524 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.569 ' HB2' ' HZ ' ' A' ' 38' ' ' PHE . 79.2 mtp -63.04 -34.97 78.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 1.35 111.597 -178.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.4 -49.94 61.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.75 0.31 . . . . 1.17 111.156 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 p -71.42 -36.36 71.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.332 -0.394 . . . . 1.45 111.856 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.91 -5.54 57.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.945 0.403 . . . . 2.5 110.841 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 63.55 25.45 14.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.627 0.727 . . . . 2.34 110.414 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 24.3 tptm -74.62 -20.52 59.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.935 -1.029 . . . . 3.29 109.423 176.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 tt -65.64 92.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.739 0.78 . . . . 0.81 110.771 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -75.48 168.36 20.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 2.15 110.294 174.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.09 76.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.623 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.48 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.792 0.293 . . . . 1.24 111.792 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.515 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -104.68 14.22 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.155 0.428 . . . . 1.45 112.155 -178.458 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.0 p -65.98 -27.31 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.134 -1.061 . . . . 1.07 108.134 170.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -75.28 140.56 43.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.738 -1.119 . . . . 0.9 109.261 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 68.25 11.82 8.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.068 -0.969 . . . . 2.37 111.164 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' HZ ' ' HB2' ' A' ' 24' ' ' MET . 1.8 t80 -91.82 7.2 42.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.135 0.493 . . . . 1.61 110.167 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.21 122.03 20.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.357 0.599 . . . . 1.04 112.336 -172.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.55 -17.02 62.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.355 -0.839 . . . . 1.62 110.514 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.711 HD11 ' HA ' ' A' ' 147' ' ' ILE . 7.3 tp -57.13 -30.19 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 115.569 -0.741 . . . . 1.81 112.311 -172.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.92 -35.5 81.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.56 0.695 . . . . 2.45 110.092 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -83.18 -27.94 29.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.03 -0.986 . . . . 1.91 110.485 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' HD2' HD12 ' A' ' 41' ' ' ILE . 19.5 m-30 -63.0 -34.55 77.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 2.0 110.737 173.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -75.79 -57.15 4.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 1.33 110.735 175.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -84.61 85.26 7.44 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.184 -0.673 . . . . 2.94 109.184 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.53 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 63.1 mtt -71.29 83.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.807 -0.633 . . . . 1.99 111.88 -171.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -110.6 -44.14 3.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.668 -0.696 . . . . 3.73 109.293 172.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.581 HD21 HG13 ' A' ' 14' ' ' ILE . 89.7 mt -90.15 -33.03 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 2.19 111.2 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 56' ' ' VAL . 53.2 tp -76.34 -36.15 58.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.314 0.578 . . . . 3.39 110.398 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CB ' ' HB3' ' A' ' 47' ' ' MET . 27.2 ttpp -97.92 123.7 42.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 3.18 110.164 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.02 96.9 8.8 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.842 -0.799 . . . . 2.55 108.842 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.0 -115.47 4.37 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.937 -0.649 . . . . 1.64 111.629 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -118.32 10.34 12.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.879 0.371 . . . . 2.87 110.864 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.1 t -138.55 144.86 40.07 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.882 -0.784 . . . . 1.64 108.882 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 50' ' ' LEU . 14.4 p -95.91 131.19 43.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.719 0.771 . . . . 0.63 110.487 -178.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.526 ' HB2' ' HE3' ' A' ' 60' ' ' LYS . 12.0 m120 -84.15 106.26 15.65 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.752 -1.113 . . . . 2.33 108.603 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.638 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 94.3 m-85 -66.4 -7.31 18.45 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.827 -0.624 . . . . 0.82 111.163 -174.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.26 -57.34 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.089 -0.708 . . . . 1.65 109.089 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.526 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 18.5 ptpt -65.43 -30.65 71.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.4 -0.818 . . . . 2.25 109.954 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -62.15 -40.18 95.1 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.237 -0.438 . . . . 0.62 110.593 175.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m -62.16 -44.41 96.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.13 110.759 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.63 -46.13 70.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.985 -0.552 . . . . 0.99 110.937 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.8 p -68.33 -36.83 79.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.133 -0.485 . . . . 1.36 111.617 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -47.27 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.793 -0.447 . . . . 1.52 109.793 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.87 -40.06 91.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.031 0.444 . . . . 0.82 110.952 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.29 -45.35 80.81 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.481 -0.866 . . . . 0.56 111.916 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.425 ' HA ' HG12 ' A' ' 71' ' ' ILE . 33.0 t -64.94 -38.43 90.93 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.305 0.113 . . . . 1.16 111.305 -177.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.19 -36.31 72.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 120.701 -0.399 . . . . 1.54 110.786 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -68.11 -46.17 71.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.754 0.311 . . . . 2.91 110.665 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 42.9 pt -70.99 -32.98 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.958 -0.297 . . . . 1.22 110.952 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.586 ' HA ' ' HD3' ' A' ' 75' ' ' ARG . 74.6 t80 -57.63 -49.8 75.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.153 0.501 . . . . 0.86 110.289 175.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.9 p -70.46 -25.61 63.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.929 -0.578 . . . . 0.65 110.684 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.1 t -67.53 -26.97 66.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.106 0.479 . . . . 1.3 109.921 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HD3' ' HA ' ' A' ' 72' ' ' TYR . 65.5 mtp180 -73.32 -32.72 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.55 -0.537 . . . . 1.69 109.55 174.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.654 HG12 HD12 ' A' ' 192' ' ' ILE . 62.3 t -66.96 -37.23 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.911 -0.586 . . . . 0.78 109.579 172.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.26 -31.95 73.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.16 -0.473 . . . . 1.87 110.188 171.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -67.19 -46.44 73.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.606 . . . . 1.25 111.088 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG21 ' HG2' ' A' ' 137' ' ' MET . 7.3 p -64.85 -33.91 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.596 -0.442 . . . . 1.4 110.43 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.16 -30.56 67.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.137 0.494 . . . . 1.45 110.621 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -65.45 -37.31 86.5 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.417 -0.586 . . . . 1.96 109.417 173.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.674 -0.693 . . . . 2.42 110.676 176.852 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.902 0.382 . . . . 4.42 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.61 -44.87 73.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.529 . . . . 4.65 110.156 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 32.1 tt0 -64.36 -39.14 93.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 3.16 110.538 178.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 65.5 mtt -60.48 -43.37 97.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.411 . . . . 3.28 110.932 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.2 t -61.52 -42.98 99.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.468 -0.567 . . . . 1.58 109.468 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.62 ' HA ' ' HE2' ' A' ' 136' ' ' MET . 1.6 tt -59.52 -43.54 93.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.564 -0.744 . . . . 1.83 109.896 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 66.7 mttm -56.69 -43.56 80.64 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 115.898 -0.592 . . . . 3.67 110.167 175.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -63.98 -45.48 88.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 1.73 110.909 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.62 ' HE2' ' HA ' ' A' ' 133' ' ' LEU . 0.9 OUTLIER -58.07 -49.9 75.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 1.05 110.777 177.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.49 ' HE3' ' HA ' ' A' ' 193' ' ' THR . 85.9 mtp -66.25 -39.28 89.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 1.44 111.39 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -58.21 -42.6 86.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 3.44 109.836 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 43.5 m -64.14 -38.08 89.78 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.356 -0.838 . . . . 1.16 110.971 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 136' ' ' MET . 71.8 t -55.61 -51.91 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 121.231 0.539 . . . . 1.15 110.866 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 64.8 mt -75.28 -26.81 59.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.087 -0.506 . . . . 1.45 111.504 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 146' ' ' LYS . 85.4 tttt -67.82 -41.69 82.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.319 -0.623 . . . . 3.01 109.319 174.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . 0.444 ' HB3' ' HE1' ' A' ' 72' ' ' TYR . 11.6 t70 -62.27 -38.05 87.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.228 -0.897 . . . . 1.64 109.833 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.533 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 61.1 tttp -55.15 -45.79 75.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.503 -0.771 . . . . 1.8 110.844 177.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -63.48 -34.05 76.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.84 110.504 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 142' ' ' LYS . 5.4 mptp? -66.29 -37.67 85.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 2.66 110.352 175.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.711 ' HA ' HD11 ' A' ' 41' ' ' ILE . 63.1 mt -63.85 -50.57 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.59 110.173 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.4 -46.53 69.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.836 -0.62 . . . . 2.39 110.254 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.13 -47.04 78.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.268 -0.878 . . . . 2.47 110.978 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 73.8 m -64.0 -38.89 92.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.71 111.504 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 147' ' ' ILE . 77.9 mt -56.41 -51.4 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 1.05 110.645 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.73 -30.03 69.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 0.49 111.476 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 49.5 m -73.74 -46.49 45.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.423 -0.353 . . . . 0.54 111.234 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.85 -32.11 73.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 1.37 110.572 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.654 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 13.5 t70 -65.29 -35.86 82.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.78 109.915 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.467 ' OE2' ' HD2' ' A' ' 159' ' ' ARG . 4.7 mm-40 -59.56 -46.91 87.53 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.318 -0.401 . . . . 2.52 110.962 174.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -58.38 -36.95 74.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.988 0.423 . . . . 0.92 110.456 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.574 ' HA ' HG22 ' A' ' 168' ' ' THR . 47.1 tttm -66.02 -41.08 91.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.661 -0.699 . . . . 1.93 110.793 177.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.654 ' HG3' ' O ' ' A' ' 155' ' ' ASP . 95.1 mtt180 -63.4 -49.73 72.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.959 -0.564 . . . . 3.78 111.08 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -71.36 -44.58 64.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.03 -0.532 . . . . 2.94 110.69 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . 61.39 162.07 0.07 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.676 0.75 . . . . 1.97 112.523 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 15.0 m -125.09 83.2 2.13 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.898 -0.592 . . . . 3.67 109.476 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 62.94 -133.52 43.48 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.465 -0.654 . . . . 3.19 111.465 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -86.42 75.69 2.21 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.185 -0.766 . . . . 2.95 111.185 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 15.8 m -74.55 -35.71 63.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.397 0.141 . . . . 3.61 110.873 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . 71.62 -50.29 0.69 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.68 0.792 . . . . 3.62 112.238 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.83 -13.36 46.66 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.46 -0.336 . . . . 1.32 112.887 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.574 HG22 ' HA ' ' A' ' 158' ' ' LYS . 8.0 p -61.22 -42.33 98.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.969 0.414 . . . . 1.5 110.722 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.568 . . . . 3.65 109.872 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . 0.434 ' HE2' ' HB3' ' A' ' 170' ' ' MET . 43.3 ttp -61.02 -37.86 84.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.725 -0.671 . . . . 1.37 111.045 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.481 ' HD2' ' HD2' ' A' ' 158' ' ' LYS . 84.2 t80 -61.15 -31.43 71.16 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.9 111.097 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.553 ' HB2' ' HE3' ' A' ' 158' ' ' LYS . 9.4 tp10 -62.01 -49.32 76.51 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.88 -0.415 . . . . 2.38 109.88 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.535 ' O ' ' HB2' ' A' ' 177' ' ' LYS . 42.4 m-20 -71.85 -34.15 69.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.871 -0.604 . . . . 2.29 111.196 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -69.94 -43.21 72.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.593 -0.276 . . . . 3.45 110.778 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.431 ' O ' HD13 ' A' ' 179' ' ' LEU . 35.0 ttpt -57.33 -55.22 37.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.021 -0.536 . . . . 1.22 110.482 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.474 ' HB2' ' HE2' ' A' ' 180' ' ' LYS . 10.0 pt-20 -62.43 -39.27 92.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.94 -0.304 . . . . 1.35 110.793 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 173' ' ' ASP . 6.7 tppt? -60.39 -50.42 73.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.003 0.43 . . . . 2.03 110.165 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -67.8 -42.86 80.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.837 -0.619 . . . . 0.91 111.247 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 175' ' ' LYS . 8.5 mp -65.64 -45.95 81.07 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.051 0.389 . . . . 1.63 112.051 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' A' ' 176' ' ' GLU . 68.2 mttm -67.58 -34.43 77.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.678 0.275 . . . . 3.14 110.963 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.4 m -74.29 -37.05 63.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.132 0.491 . . . . 1.29 110.053 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.2 ttt -65.53 -37.8 87.79 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.994 -0.548 . . . . 0.66 110.297 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -59.7 -28.6 67.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.71 111.395 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -71.93 -42.83 66.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.976 0.417 . . . . 2.83 110.566 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -76.58 -23.77 53.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.099 0.476 . . . . 2.06 110.375 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.18 -29.98 69.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.637 -0.71 . . . . 1.16 110.025 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 89.0 mt -66.24 -38.68 88.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.123 0.487 . . . . 2.35 109.697 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 191' ' ' GLU . 77.0 tttt -67.21 -38.58 85.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.478 -0.783 . . . . 2.76 110.095 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.43 -51.8 67.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.695 -0.684 . . . . 1.24 109.44 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -61.63 -31.3 71.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.935 -0.575 . . . . 2.24 111.138 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 29.9 tt0 -60.48 -54.27 47.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.816 -0.439 . . . . 2.86 109.816 175.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' ILE . . . . . 0.654 HD12 HG12 ' A' ' 76' ' ' VAL . 62.1 mt -62.25 -42.48 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.717 -0.674 . . . . 1.24 111.132 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.49 ' HA ' ' HE3' ' A' ' 137' ' ' MET . 75.2 p -67.29 -41.04 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.823 -0.351 . . . . 1.75 111.245 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.86 -44.44 80.95 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.223 -0.444 . . . . 3.84 110.409 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 84.9 mt -66.45 -48.55 69.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.29 -0.414 . . . . 3.54 110.903 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 192' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 112.024 0.379 . . . . 3.31 112.024 -174.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 N--CA 1.463 -0.309 0 N-CA-C 111.491 -0.234 . . . . 1.71 111.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.53 -37.54 78.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.422 -0.354 . . . . 2.27 111.218 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 79.8 mt -57.15 -47.78 80.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 2.13 110.329 174.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.35 -34.59 74.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 1.02 110.78 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.41 -45.18 92.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.989 -0.55 . . . . 2.23 110.468 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -69.42 -40.21 77.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 1.52 110.825 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 49.7 mt-10 -62.9 -38.9 92.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 2.43 110.621 177.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 24' ' ' MET . 35.5 tt0 -65.6 -37.7 87.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.927 -0.579 . . . . 1.99 109.96 177.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -61.65 -40.05 93.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.931 -0.577 . . . . 1.14 110.673 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.5 mmt -63.18 -38.17 90.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 1.4 110.289 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -64.01 -43.9 94.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 3.34 110.177 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.482 ' HA ' ' HB2' ' A' ' 29' ' ' LYS . 95.4 mmm -60.07 -43.46 95.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 1.35 110.471 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.31 -55.53 10.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 1.17 112.107 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -65.31 -42.8 92.66 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.998 0.37 . . . . 1.45 111.998 -174.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.94 2.25 43.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.317 0.579 . . . . 2.5 110.378 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.82 31.32 20.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.3 -0.864 . . . . 2.34 111.38 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 24' ' ' MET . 14.4 mmmm -80.09 -16.3 55.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 3.29 110.288 177.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.428 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 10.4 tt -73.03 107.73 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-O 121.727 0.775 . . . . 0.81 109.964 176.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -102.11 -166.68 1.31 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.589 -0.732 . . . . 2.15 109.047 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.56 -51.27 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -172.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.66 -31.08 70.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.986 0.422 . . . . 1.24 111.763 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 30' ' ' ILE . 8.0 p30 -109.89 14.81 23.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.333 -0.394 . . . . 1.45 110.86 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.406 ' HA ' HD11 ' A' ' 30' ' ' ILE . 22.8 t -71.17 -23.48 62.06 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.131 -1.063 . . . . 1.07 108.131 170.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -87.19 156.92 19.48 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.768 -1.105 . . . . 0.9 109.723 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 70.88 1.65 3.86 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.554 0.741 . . . . 2.37 110.825 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' HB3' HD11 ' A' ' 71' ' ' ILE . 16.0 m-85 -111.07 90.33 3.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.082 -0.508 . . . . 1.61 110.195 175.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.61 118.82 25.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.482 . . . . 1.04 110.322 173.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.6 mt -73.13 -17.7 61.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.628 -0.715 . . . . 1.62 110.96 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.7 -37.65 54.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.5 -0.773 . . . . 1.81 111.778 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.0 -36.77 75.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 2.45 110.734 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.527 ' HD2' ' HG ' ' A' ' 49' ' ' LEU . 94.9 m-85 -83.91 -31.85 25.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.078 -0.51 . . . . 1.91 111.56 -178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.421 ' CD1' HG21 ' A' ' 150' ' ' THR . 24.4 m-85 -67.28 -42.03 84.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.702 -0.226 . . . . 2.0 111.587 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -75.88 -23.62 55.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.555 -0.293 . . . . 1.33 111.07 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.29 -52.91 9.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 2.94 109.989 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.2 mtt 69.35 -49.48 0.61 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.163 -0.926 . . . . 1.99 112.692 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.589 ' HA ' ' HB3' ' A' ' 51' ' ' LYS . 8.5 t -54.05 -23.95 15.48 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.261 0.624 . . . . 3.73 112.185 -172.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.527 ' HG ' ' HD2' ' A' ' 43' ' ' TYR . 2.8 tm? -48.75 -50.45 33.78 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.911 0.386 . . . . 2.19 110.201 173.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 49' ' ' LEU . 66.8 mt -121.41 26.06 9.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 3.39 110.911 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.589 ' HB3' ' HA ' ' A' ' 48' ' ' SER . 49.3 tttm -118.6 127.71 53.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.287 -0.415 . . . . 3.18 109.892 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -110.42 113.07 25.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.259 -0.428 . . . . 2.55 110.746 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.29 -106.45 2.1 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 121.054 -0.593 . . . . 1.64 112.399 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -119.72 -24.76 6.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.856 0.36 . . . . 2.87 110.7 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.0 t -94.15 170.61 9.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.099 0.476 . . . . 1.64 110.602 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.16 135.22 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.86 -0.609 . . . . 0.63 110.08 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -66.76 103.96 1.22 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.064 -0.516 . . . . 2.33 109.735 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.489 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 86.0 m-85 -70.04 -9.63 55.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.918 -0.583 . . . . 0.82 110.355 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.585 ' HA ' ' HE1' ' A' ' 170' ' ' MET . 0.8 OUTLIER -71.09 -58.88 3.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.764 -0.828 . . . . 1.65 108.764 -177.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -68.68 -28.34 66.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.354 -0.839 . . . . 2.25 110.244 177.493 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -66.09 -47.06 75.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.62 111.31 -176.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.682 ' HB2' ' HG2' ' A' ' 174' ' ' ARG . 19.4 p -69.39 -35.95 76.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.005 0.431 . . . . 1.13 110.331 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.1 t -61.05 -50.81 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.656 -0.702 . . . . 0.99 110.334 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.0 p -66.66 -28.6 68.6 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.212 -0.449 . . . . 1.36 111.252 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.95 -44.39 76.88 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.767 -0.457 . . . . 1.52 109.767 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.39 -42.61 98.81 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.159 0.504 . . . . 0.82 110.351 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.23 -32.99 86.04 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.832 -0.699 . . . . 0.56 111.822 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.638 ' HA ' HG22 ' A' ' 71' ' ' ILE . 49.8 t -64.01 -38.01 89.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.623 0.249 . . . . 1.16 110.549 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.81 -39.9 85.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.29 0.566 . . . . 1.54 110.087 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -68.41 -50.98 48.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.792 -0.64 . . . . 2.91 110.924 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.657 HD11 ' HB3' ' A' ' 38' ' ' PHE . 15.2 tt -65.64 -33.72 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 1.22 110.845 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.501 ' HE1' ' O ' ' A' ' 140' ' ' VAL . 76.2 t80 -54.05 -54.72 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.86 110.352 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.897 HG21 ' HB3' ' A' ' 185' ' ' LYS . 25.4 p -75.69 -24.91 56.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.017 -0.538 . . . . 0.65 111.833 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -62.54 -40.27 96.28 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.659 -0.496 . . . . 1.3 109.659 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 79' ' ' VAL . 88.4 mtm180 -67.05 -41.13 87.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.953 -0.567 . . . . 1.69 110.322 176.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.643 HG12 HD12 ' A' ' 192' ' ' ILE . 90.8 t -57.62 -42.17 80.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.19 0.519 . . . . 0.78 110.404 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.87 -42.58 94.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.654 -0.703 . . . . 1.87 110.572 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.2 m -63.75 -31.43 72.6 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.87 -0.605 . . . . 1.25 110.985 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 75' ' ' ARG . 41.0 t -62.76 -41.62 93.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.248 -0.433 . . . . 1.4 109.99 175.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.7 -24.5 67.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.588 0.588 . . . . 1.45 112.588 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.4 m -74.01 -46.27 44.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.467 0.651 . . . . 1.96 109.634 171.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.827 ' HB3' HD21 ' A' ' 133' ' ' LEU . 1.8 tp10 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.212 -0.904 . . . . 2.42 111.399 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.922 0.392 . . . . 4.42 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -61.03 -27.99 68.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.032 -0.531 . . . . 4.65 111.91 -174.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.3 OUTLIER -56.08 -29.42 60.52 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.669 0.271 . . . . 3.16 111.355 -178.209 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.847 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 71.5 mtm -67.56 -40.38 84.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.838 0.351 . . . . 3.28 110.7 -178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -72.95 -31.01 64.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.134 0.492 . . . . 1.58 109.794 174.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.827 HD21 ' HB3' ' A' ' 82' ' ' GLU . 8.1 mt -62.65 -45.65 91.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.798 -0.637 . . . . 1.83 112.628 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.847 ' HE2' ' HA ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -59.82 -38.28 81.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.328 -0.619 . . . . 3.67 109.328 177.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.3 -45.47 84.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.658 -0.701 . . . . 1.73 110.524 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.666 ' HE2' ' HA ' ' A' ' 133' ' ' LEU . 73.1 mtm -66.96 -43.28 83.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.697 -0.229 . . . . 1.05 111.522 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.532 ' O ' HG22 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -60.65 -46.55 89.9 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.059 0.457 . . . . 1.44 110.491 175.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -66.63 -25.31 66.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 3.44 110.956 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.597 ' HA ' ' HE3' ' A' ' 142' ' ' LYS . 23.2 m -64.75 -48.08 75.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.447 -0.342 . . . . 1.16 111.052 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 137' ' ' MET . 18.3 m -64.67 -33.41 63.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.175 -0.61 . . . . 1.15 110.122 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 53.0 mt -74.19 -40.52 62.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.968 0.359 . . . . 1.45 111.968 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.597 ' HE3' ' HA ' ' A' ' 139' ' ' THR . 22.1 pttp -69.96 -39.91 75.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.013 -0.366 . . . . 3.01 110.013 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . 0.52 ' O ' HG13 ' A' ' 147' ' ' ILE . 1.4 m-20 -64.76 -32.41 74.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.973 -0.558 . . . . 1.64 110.145 176.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.563 ' HB3' ' O ' ' A' ' 141' ' ' LEU . 58.9 tttp -53.87 -53.15 56.57 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.064 -0.516 . . . . 1.8 110.289 173.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 149' ' ' GLU . 36.2 m80 -62.77 -41.13 99.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.741 -0.663 . . . . 0.84 110.293 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 74.1 mmtt -60.2 -41.82 93.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 2.66 111.557 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 143' ' ' ASP . 81.8 mt -62.59 -46.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.954 -0.387 . . . . 0.59 109.954 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -54.74 -44.84 73.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 2.39 110.649 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 145' ' ' HIS . 71.9 mm-40 -60.25 -42.75 95.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.903 -0.59 . . . . 2.47 110.859 177.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . 0.421 HG21 ' CD1' ' A' ' 44' ' ' PHE . 33.1 m -63.57 -44.94 92.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.774 -0.648 . . . . 0.71 111.0 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 147' ' ' ILE . 69.8 mt -59.79 -41.92 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 1.05 110.618 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.92 -34.21 76.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.409 . . . . 0.49 111.264 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.723 ' O ' ' HG2' ' A' ' 156' ' ' GLU . 76.0 m -73.4 -45.0 57.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.54 111.25 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.444 HD23 ' CE1' ' A' ' 171' ' ' PHE . 15.8 tp -66.18 -28.11 68.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.551 0.691 . . . . 1.37 109.549 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.19 -38.6 78.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.21 -0.905 . . . . 0.78 111.463 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.723 ' HG2' ' O ' ' A' ' 153' ' ' THR . 9.5 pt-20 -70.93 -23.81 62.32 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.959 0.409 . . . . 2.52 110.283 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -69.68 -33.66 72.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.467 -0.333 . . . . 0.92 110.482 172.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.615 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 63.1 tttt -71.51 -21.74 61.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.54 0.686 . . . . 1.93 109.86 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.98 -48.86 27.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.649 -0.705 . . . . 3.78 110.555 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -75.1 -36.43 61.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.866 0.365 . . . . 2.94 110.869 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -109.89 98.3 7.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 1.97 109.836 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 7.1 p -64.87 -41.77 95.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.734 -0.666 . . . . 3.67 111.721 -175.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -129.13 -36.38 0.43 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.623 -0.799 . . . . 3.19 112.761 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 61.48 -114.38 6.65 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.931 -0.868 . . . . 2.95 110.931 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.5 t -110.56 -54.55 2.57 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.478 -0.934 . . . . 3.61 108.478 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -173.1 132.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.267 -0.879 . . . . 3.62 109.63 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 140.97 -30.37 2.27 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.231 -0.985 . . . . 1.32 112.891 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.615 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 39.2 p -64.34 -44.06 92.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 1.5 111.46 -176.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -72.38 -33.65 67.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.87 0.367 . . . . 3.65 110.527 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . 0.585 ' HE1' ' HA ' ' A' ' 59' ' ' GLN . 13.9 tmm? -69.3 -33.3 72.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 1.37 110.27 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.444 ' CE1' HD23 ' A' ' 154' ' ' LEU . 44.5 t80 -58.25 -34.29 70.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.123 -0.49 . . . . 0.9 110.525 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.12 -44.41 79.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.07 0.462 . . . . 2.38 110.144 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.12 -35.54 81.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.352 -0.84 . . . . 2.29 110.4 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.682 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 20.6 tpp180 -75.44 -39.07 59.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.059 -0.519 . . . . 3.45 111.115 176.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -54.88 -50.82 67.78 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.002 0.189 . . . . 1.22 111.273 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -55.95 -38.81 70.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.406 -0.361 . . . . 1.35 111.181 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -80.01 -42.13 24.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.027 0.441 . . . . 2.03 110.862 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.05 75.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.927 -0.579 . . . . 0.91 110.784 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.471 HD11 HD13 ' A' ' 151' ' ' ILE . 10.9 mp -67.71 -32.98 74.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 1.63 110.856 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.0 -49.18 77.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.117 0.484 . . . . 3.14 110.23 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 25.6 m -69.62 -40.66 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.461 -0.79 . . . . 1.29 110.665 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 27.4 ttt -63.06 -35.48 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.66 110.839 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -63.6 -45.96 87.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.068 0.461 . . . . 0.71 110.703 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.497 ' HA ' HD12 ' A' ' 187' ' ' LEU . 13.6 mmmm -67.86 -37.59 82.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.846 -0.615 . . . . 2.83 110.926 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.897 ' HB3' HG21 ' A' ' 73' ' ' THR . 67.4 mmtt -70.75 -31.39 68.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.97 -0.559 . . . . 2.06 111.292 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.38 -36.39 81.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.135 0.493 . . . . 1.16 109.898 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 184' ' ' LYS . 81.6 mt -61.44 -34.31 75.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.746 -0.661 . . . . 2.35 110.297 174.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 188' ' ' LYS . 2.7 mmmp? -72.85 -33.73 66.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 2.76 110.296 177.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 21.0 tp -62.63 -46.7 87.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 1.24 109.94 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.42 -43.59 88.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 2.24 110.034 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.53 -44.43 85.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.781 -0.645 . . . . 2.86 110.806 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' ILE . . . . . 0.643 HD12 HG12 ' A' ' 76' ' ' VAL . 10.8 mt -58.8 -43.33 87.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 1.24 111.841 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.418 ' HA ' HD23 ' A' ' 196' ' ' LEU . 82.1 p -61.97 -46.06 90.93 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.002 0.43 . . . . 1.75 111.301 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.79 -32.59 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.122 -0.49 . . . . 3.84 110.736 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.0 tp -70.09 -49.68 48.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.908 -0.587 . . . . 3.54 110.667 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 193' ' ' THR . 1.7 pp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 3.31 110.306 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 N--CA 1.46 -0.464 0 CA-C-O 121.231 0.43 . . . . 1.71 112.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.6 mm -75.51 -16.69 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.449 0.642 . . . . 2.27 109.791 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.552 HD23 ' HG ' ' A' ' 49' ' ' LEU . 88.1 mt -52.81 -36.82 59.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.307 -0.86 . . . . 2.13 110.824 175.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.66 -33.95 73.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.921 -0.581 . . . . 1.02 111.285 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -70.37 -39.46 74.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.37 0.605 . . . . 2.23 109.967 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.539 ' HE1' HG21 ' A' ' 64' ' ' THR . 40.2 t80 -63.06 -49.69 73.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.22 -0.9 . . . . 1.52 111.095 -177.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.59 -26.87 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.475 -0.33 . . . . 2.43 111.021 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -60.3 -45.55 92.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.182 0.515 . . . . 1.99 109.849 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.53 ' HZ3' ' HE1' ' A' ' 43' ' ' TYR . 46.6 m0 -63.81 -37.46 87.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.601 -0.727 . . . . 1.14 110.781 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.584 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -70.34 -36.83 74.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 1.4 110.578 -178.226 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -62.82 -36.6 83.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.016 0.436 . . . . 3.34 110.045 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 68.1 mmm -68.63 -42.56 77.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.882 -0.599 . . . . 1.35 110.789 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.3 -36.78 74.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.768 0.655 . . . . 1.17 112.768 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.4 p -61.11 -50.75 71.99 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.046 0.758 . . . . 1.45 113.046 -171.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -96.8 6.63 48.3 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.088 -0.245 . . . . 2.5 110.823 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.0 m120 65.18 35.63 7.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.913 -0.585 . . . . 2.34 111.528 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.0 -16.99 60.6 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.529 0.681 . . . . 3.29 109.297 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 35' ' ' SER . 6.0 tt -62.83 103.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.023 -0.99 . . . . 0.81 110.677 177.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -70.68 157.01 38.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 2.15 109.858 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -64.24 -30.74 71.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.602 0.239 . . . . 1.0 111.297 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -38.14 72.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.153 0.502 . . . . 1.24 110.773 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.454 ' ND2' HG13 ' A' ' 30' ' ' ILE . 2.4 p-10 -110.34 14.39 22.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.865 -0.607 . . . . 1.45 110.921 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.502 ' HA ' HD11 ' A' ' 30' ' ' ILE . 32.8 t -67.81 -20.57 65.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.59 -0.892 . . . . 1.07 108.59 173.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -96.67 148.0 23.32 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.55 -1.205 . . . . 0.9 109.013 174.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 74.23 -0.5 3.33 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.213 1.005 . . . . 2.37 111.291 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.682 ' HB3' HD11 ' A' ' 71' ' ' ILE . 1.1 m-85 -88.7 82.72 6.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.046 -0.724 . . . . 1.61 109.046 169.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB2' HH22 ' A' ' 75' ' ' ARG . . . -123.82 116.73 23.45 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.92 -0.712 . . . . 1.04 111.769 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 44' ' ' PHE . 9.1 mp -74.72 -18.87 60.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.035 -0.984 . . . . 1.62 109.808 168.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.45 -38.89 58.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 114.63 -1.168 . . . . 1.81 112.749 -169.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.95 -33.4 64.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.073 0.463 . . . . 2.45 111.054 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.53 ' HE1' ' HZ3' ' A' ' 21' ' ' TRP . 82.7 m-85 -84.28 -29.35 26.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.811 -0.631 . . . . 1.91 111.356 -177.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' HB3' HG21 ' A' ' 150' ' ' THR . 67.1 m-85 -72.77 -42.04 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.107 0.48 . . . . 2.0 110.191 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -53.59 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.429 -0.805 . . . . 1.33 110.219 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -95.57 93.07 6.95 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.772 -0.825 . . . . 2.94 108.772 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.941 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . 63.3 mtt -71.13 89.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.355 -0.839 . . . . 1.99 111.673 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 m -126.47 -40.28 1.96 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.323 -0.853 . . . . 3.73 109.862 175.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.552 ' HG ' HD23 ' A' ' 15' ' ' LEU . 8.7 tt -83.88 -45.71 12.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 2.19 110.506 -178.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.5 mm? -81.56 -30.21 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 3.39 110.811 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 47' ' ' MET . 87.1 tttt -80.78 124.34 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.166 -0.47 . . . . 3.18 110.276 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -115.61 98.07 6.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.868 -0.605 . . . . 2.55 110.116 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.22 -127.23 8.47 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.852 -0.69 . . . . 1.64 112.378 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.05 -14.88 30.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.86 0.362 . . . . 2.87 110.997 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.4 m -136.19 -173.61 3.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.624 -0.509 . . . . 1.64 109.624 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 50' ' ' LEU . 7.6 p -125.95 131.97 71.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.272 0.558 . . . . 0.63 110.674 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -72.13 108.07 5.13 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.345 -0.843 . . . . 2.33 109.811 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.737 ' HZ ' ' HB3' ' A' ' 157' ' ' TYR . 72.3 m-85 -69.9 -6.85 35.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.481 -0.781 . . . . 0.82 111.423 -174.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.419 ' HA ' ' CE ' ' A' ' 170' ' ' MET . 0.6 OUTLIER -71.7 -58.52 3.41 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.981 -0.748 . . . . 1.65 108.981 -178.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -66.88 -32.44 73.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.946 -0.57 . . . . 2.25 110.654 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.518 ' HB1' HD21 ' A' ' 154' ' ' LEU . . . -62.49 -46.5 88.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.62 111.193 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.8 ' HB3' ' HD3' ' A' ' 174' ' ' ARG . 40.0 m -68.58 -36.48 78.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.354 . . . . 1.13 110.762 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 45.7 t -61.53 -49.2 77.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.007 -0.542 . . . . 0.99 110.483 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.539 HG21 ' HE1' ' A' ' 18' ' ' PHE . 18.1 p -74.66 -29.41 61.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.761 -0.654 . . . . 1.36 111.367 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.2 tm? -62.34 -41.98 99.01 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.422 -0.584 . . . . 1.52 109.422 176.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.75 -48.72 80.25 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.097 -0.501 . . . . 0.82 110.268 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.05 -32.35 81.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.56 111.969 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.655 ' HA ' HG22 ' A' ' 71' ' ' ILE . 41.9 t -68.22 -33.15 73.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.596 0.236 . . . . 1.16 110.898 179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 65' ' ' LEU . 88.4 t -65.77 -38.34 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.272 0.558 . . . . 1.54 109.858 175.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -67.91 -46.14 72.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.629 -0.714 . . . . 2.91 110.864 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.682 HD11 ' HB3' ' A' ' 38' ' ' PHE . 14.5 tt -68.8 -33.15 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 1.22 110.637 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 75' ' ' ARG . 81.5 t80 -57.08 -51.58 68.7 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.925 0.393 . . . . 0.86 110.728 176.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.2 p -71.01 -26.7 63.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.404 -0.362 . . . . 0.65 110.975 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 m -63.33 -33.11 74.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.902 0.382 . . . . 1.3 110.18 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.517 HH22 ' HB2' ' A' ' 39' ' ' ALA . 86.9 mtt180 -65.33 -42.46 92.92 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.02 -0.536 . . . . 1.69 110.151 174.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.866 HG12 HD12 ' A' ' 192' ' ' ILE . 23.1 t -58.45 -42.11 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.838 -0.619 . . . . 0.78 109.833 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -66.34 -32.15 73.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.782 -0.644 . . . . 1.87 110.855 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 t -66.44 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 1.25 110.12 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.07 -48.84 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.4 109.727 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.4 81.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 1.45 110.888 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.6 m -61.92 -40.14 94.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.23 0.538 . . . . 1.96 109.958 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 2.42 110.094 178.378 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.519 ' HA ' ' HE2' ' A' ' 131' ' ' MET . 47.4 mmtm . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.9 0.381 . . . . 4.42 110.604 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.439 ' O ' HD23 ' A' ' 133' ' ' LEU . 32.3 mmmt -61.87 -41.22 97.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 4.65 111.082 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -54.55 -45.58 73.48 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.863 0.363 . . . . 3.16 110.747 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 128' ' ' LYS . 64.1 mtm -60.79 -47.19 87.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.878 -0.601 . . . . 3.28 110.865 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 m -66.77 -36.1 81.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.425 -0.352 . . . . 1.58 111.074 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 129' ' ' LYS . 3.6 mm? -60.25 -48.47 81.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.41 . . . . 1.83 110.662 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -68.57 -38.67 80.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.078 -0.51 . . . . 3.67 110.575 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -60.43 -48.97 79.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.806 -0.634 . . . . 1.73 111.118 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.557 ' O ' HG23 ' A' ' 140' ' ' VAL . 61.4 mtm -60.13 -47.52 85.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.644 -0.253 . . . . 1.05 110.612 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 74.7 mmm -57.06 -43.68 82.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 1.44 111.066 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -69.25 -27.05 65.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.993 0.425 . . . . 3.44 110.451 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 39.6 m -73.31 -36.75 66.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.185 -0.461 . . . . 1.16 110.282 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 136' ' ' MET . 84.9 t -60.45 -51.88 67.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.946 -0.57 . . . . 1.15 110.741 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 8.5 mp -67.14 -29.5 69.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 1.45 111.604 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -61.72 -47.95 82.93 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.317 0.579 . . . . 3.01 110.015 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . 0.622 ' HA ' ' HD2' ' A' ' 146' ' ' LYS . 5.8 m-20 -70.46 -29.42 65.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 1.64 110.376 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 141' ' ' LEU . 53.4 tttm -55.83 -46.5 78.12 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.317 -0.401 . . . . 1.8 110.247 173.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.571 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 29.5 m170 -56.03 -46.14 78.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.894 -0.593 . . . . 0.84 109.785 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 143' ' ' ASP . 90.2 mttt -57.75 -43.84 85.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.627 -0.715 . . . . 2.66 111.072 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 143' ' ' ASP . 69.5 mt -58.9 -48.77 85.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.59 110.462 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.74 -29.23 69.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.763 -0.653 . . . . 2.39 111.036 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 43.5 mt-10 -63.3 -48.75 76.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.504 -0.554 . . . . 2.47 109.504 172.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . 0.451 HG21 ' HB3' ' A' ' 44' ' ' PHE . 34.0 m -59.39 -44.26 92.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.233 -0.894 . . . . 0.71 110.835 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 147' ' ' ILE . 83.9 mt -56.31 -47.67 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.317 -0.401 . . . . 1.05 110.601 177.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.67 97.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.065 -0.516 . . . . 0.49 110.946 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 35.8 m -61.34 -44.21 97.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.228 -0.442 . . . . 0.54 111.02 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.518 HD21 ' HB1' ' A' ' 61' ' ' ALA . 8.3 mp -67.08 -39.5 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 1.37 111.043 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.453 ' HA ' ' HE2' ' A' ' 171' ' ' PHE . 21.5 t70 -61.38 -49.88 75.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.193 0.52 . . . . 0.78 110.655 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' A' ' 160' ' ' LYS . 35.1 mt-10 -70.2 -26.69 63.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.602 . . . . 2.52 110.824 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.737 ' HB3' ' HZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -61.59 -38.64 88.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.838 0.351 . . . . 0.92 110.122 176.357 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.472 ' HE3' ' HB ' ' A' ' 168' ' ' THR . 87.2 tttt -70.04 -35.24 74.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.545 . . . . 1.93 110.161 176.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -66.27 -38.25 87.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 3.78 109.95 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 5.1 mptp? -64.57 -45.79 85.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.842 -0.617 . . . . 2.94 110.177 173.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -54.55 114.63 1.75 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.496 -0.775 . . . . 1.97 111.362 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 8.3 m -107.64 2.26 23.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.802 -0.635 . . . . 3.67 110.345 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -158.98 86.73 0.12 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.951 -0.642 . . . . 3.19 112.155 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 178.67 114.37 0.41 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.037 -0.601 . . . . 2.95 111.642 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 9.5 m -104.21 -32.69 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.041 0.448 . . . . 3.61 110.803 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -70.68 111.73 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 3.62 111.362 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 100.27 -38.7 3.01 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.017 -0.611 . . . . 1.32 112.538 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.472 ' HB ' ' HE3' ' A' ' 158' ' ' LYS . 33.7 p -65.43 -43.08 91.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.772 0.32 . . . . 1.5 111.673 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 169' ' ' ARG . 5.1 ptp180 -69.06 -41.43 77.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.509 -0.314 . . . . 3.65 110.826 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 59' ' ' GLN . 13.6 tmm? -63.35 -43.07 98.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.37 109.932 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.624 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 48.8 t80 -56.12 -43.77 78.5 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.601 -0.727 . . . . 0.9 112.071 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.83 -46.74 70.96 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.818 -0.353 . . . . 2.38 111.135 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -67.9 -34.47 76.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 2.29 110.871 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.8 ' HD3' ' HB3' ' A' ' 62' ' ' SER . 67.4 ttt180 -75.85 -30.04 58.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.741 0.305 . . . . 3.45 110.892 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.32 -49.02 78.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 1.22 110.711 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 180' ' ' LYS . 10.5 pt-20 -61.14 -33.75 73.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.4 -0.364 . . . . 1.35 110.434 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -69.85 -43.8 71.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.27 -0.423 . . . . 2.03 110.362 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.17 81.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.91 111.156 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 151' ' ' ILE . 11.2 mp -67.54 -31.38 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 1.63 110.776 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 176' ' ' GLU . 21.6 ttmm -66.67 -40.46 88.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.257 0.551 . . . . 3.14 109.811 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 51.9 m -70.59 -41.26 72.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 1.29 110.307 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.5 ttt -61.65 -32.88 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.609 -0.723 . . . . 0.66 110.805 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.69 84.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.71 110.997 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.412 ' NZ ' ' HG2' ' A' ' 180' ' ' LYS . 61.9 mttp -71.18 -45.28 63.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 2.83 110.475 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -70.17 -19.6 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.001 -0.545 . . . . 2.06 111.062 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.16 -33.54 76.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.174 0.511 . . . . 1.16 109.993 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.76 -37.31 79.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 2.35 109.703 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 191' ' ' GLU . 26.0 tptp -65.6 -40.0 92.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.51 -0.768 . . . . 2.76 109.742 176.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.585 ' HA ' HG11 ' A' ' 76' ' ' VAL . 24.4 tp -59.86 -50.78 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.576 -0.738 . . . . 1.24 110.386 174.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -59.71 -33.47 71.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 2.24 111.267 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 188' ' ' LYS . 33.5 tt0 -57.11 -53.86 53.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 2.86 110.876 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' ILE . . . . . 0.866 HD12 HG12 ' A' ' 76' ' ' VAL . 63.5 mt -68.58 -38.62 79.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 1.24 110.977 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 11.8 m -59.13 -46.29 88.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.008 0.433 . . . . 1.75 110.57 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.33 -41.89 93.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.789 -0.642 . . . . 3.84 110.197 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 48.2 tp -55.81 -52.58 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.668 -0.696 . . . . 3.54 110.647 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 133' ' ' LEU . 60.2 tp . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 3.31 111.136 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo . . . . . 0 N--CA 1.459 -0.551 0 CA-C-O 121.161 0.4 . . . . 1.71 111.543 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.31 -37.82 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.726 -0.67 . . . . 2.27 110.124 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 16' ' ' ALA . 1.4 pp -64.81 -25.33 67.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.69 -0.686 . . . . 2.13 111.564 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.513 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -78.73 -42.52 28.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 1.02 110.327 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -62.85 -41.01 99.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 2.23 110.087 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.468 ' O ' ' HG2' ' A' ' 22' ' ' MET . 44.6 t80 -57.9 -39.8 78.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.463 -0.79 . . . . 1.52 111.067 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 7.8 mm-40 -60.82 -42.27 97.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 2.43 111.297 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -58.49 -47.26 84.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.015 -0.539 . . . . 1.99 109.789 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -61.09 -44.01 98.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.299 -0.864 . . . . 1.14 111.049 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 26.9 mmt -64.44 -50.26 68.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 1.4 111.465 -176.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -65.33 -39.32 92.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.901 0.382 . . . . 3.34 110.179 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.821 ' HA ' ' HB3' ' A' ' 29' ' ' LYS . 42.0 ttm -60.15 -45.05 94.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.515 . . . . 1.35 110.856 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.26 -51.55 36.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.349 -0.387 . . . . 1.17 111.655 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.3 p -66.57 -44.92 80.99 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.434 0.531 . . . . 1.45 112.434 -173.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.57 1.82 24.56 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.318 0.58 . . . . 2.5 110.739 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 m120 65.4 21.4 11.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.65 -0.705 . . . . 2.34 110.129 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.821 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 81.2 tttt -63.85 -31.97 73.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.993 -1.003 . . . . 3.29 110.191 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.766 ' HB ' ' HG2' ' A' ' 24' ' ' MET . 4.2 tt -60.56 100.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.687 0.756 . . . . 0.81 111.439 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 29.5 m-80 -75.01 157.37 35.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.731 -0.84 . . . . 2.15 108.731 174.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.1 77.34 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 111.619 0.229 . . . . 1.0 111.619 -174.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.81 -33.89 73.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.979 0.418 . . . . 1.24 111.131 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' A' ' 30' ' ' ILE . 2.1 p-10 -110.48 14.28 22.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 1.45 111.062 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.527 ' HA ' HD11 ' A' ' 30' ' ' ILE . 21.8 t -70.61 -21.74 62.62 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.644 -1.243 . . . . 1.07 107.644 171.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.416 ' CH2' ' HB ' ' A' ' 79' ' ' VAL . 62.9 m95 -79.18 152.54 30.62 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 114.306 -1.315 . . . . 0.9 109.824 175.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 90.0 m-20 69.94 1.35 3.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.018 -0.992 . . . . 2.37 111.698 -175.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.824 ' HB3' HD11 ' A' ' 71' ' ' ILE . 10.6 m-85 -106.35 96.94 6.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.018 0.437 . . . . 1.61 111.073 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.96 121.54 19.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.062 -0.517 . . . . 1.04 109.981 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD23 HG21 ' A' ' 71' ' ' ILE . 4.0 mm? -69.47 -16.55 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.375 -0.375 . . . . 1.62 111.853 -175.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 1.065 HG21 ' HB3' ' A' ' 146' ' ' LYS . 40.8 mm -57.03 -29.82 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 1.81 111.217 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.67 -35.61 72.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.921 0.391 . . . . 2.45 110.342 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -75.28 -32.05 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 1.91 110.512 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.727 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 58.6 m-85 -68.98 -41.13 78.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.004 -0.544 . . . . 2.0 111.118 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -75.8 -23.58 55.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.175 0.512 . . . . 1.33 110.31 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.64 -60.65 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.53 -0.759 . . . . 2.94 110.913 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.662 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 57.3 mtt 59.2 28.69 18.08 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.711 0.634 . . . . 1.99 112.711 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -97.38 -34.05 11.19 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.699 -0.852 . . . . 3.73 108.699 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 tp -89.28 -45.93 9.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.319 -0.855 . . . . 2.19 110.921 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.68 -34.49 52.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.42 . . . . 3.39 111.383 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.8 ttpt -99.54 131.91 45.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.747 -0.464 . . . . 3.18 109.747 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -113.28 106.1 14.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.308 0.575 . . . . 2.55 109.919 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.83 -107.54 3.15 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.524 -0.762 . . . . 1.64 111.973 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -121.06 0.84 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.07 0.462 . . . . 2.87 110.552 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -125.16 135.11 52.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.746 -0.465 . . . . 1.64 109.746 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 12.0 p -95.57 131.56 42.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.319 0.58 . . . . 0.63 109.859 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.562 ' OD1' ' HB3' ' A' ' 59' ' ' GLN . 28.7 t-20 -77.34 101.93 6.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.43 -0.805 . . . . 2.33 109.246 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.718 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 88.8 m-85 -67.51 -9.65 44.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.535 -0.757 . . . . 0.82 111.204 -175.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.562 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 7.1 tt0 -71.43 -56.14 6.53 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.839 -0.8 . . . . 1.65 108.839 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -70.77 -28.06 64.39 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.023 -0.989 . . . . 2.25 109.79 177.361 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -65.36 -38.07 88.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 0.62 110.547 175.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.4 m -62.37 -44.35 96.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.869 0.366 . . . . 1.13 110.375 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.8 t -61.0 -44.14 97.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.99 110.513 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.1 m -68.25 -41.47 81.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 1.36 111.042 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 69' ' ' VAL . 52.6 tp -66.18 -43.65 86.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.52 110.77 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.04 -47.72 84.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.148 -0.478 . . . . 0.82 110.412 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.59 -33.21 83.83 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.56 111.954 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.553 ' HA ' HG22 ' A' ' 71' ' ' ILE . 49.6 t -63.61 -42.2 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.432 0.158 . . . . 1.16 110.746 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 65' ' ' LEU . 84.5 t -60.76 -41.92 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.064 0.459 . . . . 1.54 110.082 177.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.42 -47.61 72.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 2.91 111.388 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.824 HD11 ' HB3' ' A' ' 38' ' ' PHE . 18.2 tt -71.25 -34.26 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.753 0.311 . . . . 1.22 111.1 -176.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.472 ' OH ' ' HB2' ' A' ' 144' ' ' LYS . 71.3 t80 -59.74 -46.38 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.044 0.45 . . . . 0.86 110.415 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.45 HG21 ' HD2' ' A' ' 185' ' ' LYS . 6.5 p -75.37 -25.32 57.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.721 -0.672 . . . . 0.65 111.598 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.0 m -64.79 -34.99 79.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.136 0.493 . . . . 1.3 109.848 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 71' ' ' ILE . 65.4 mtp180 -65.51 -42.38 92.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.817 -0.629 . . . . 1.69 109.533 174.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.631 HG22 HG11 ' A' ' 140' ' ' VAL . 62.0 t -57.86 -41.3 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.352 -0.84 . . . . 0.78 110.457 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.1 -31.96 71.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.984 -0.553 . . . . 1.87 110.452 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.8 t -66.37 -48.94 68.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.08 -0.509 . . . . 1.25 111.12 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.416 ' HB ' ' CH2' ' A' ' 36' ' ' TRP . 5.6 p -67.44 -34.05 66.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 1.4 110.834 -178.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HB2' ' CD1' ' A' ' 192' ' ' ILE . . . -63.63 -44.96 92.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 1.45 110.797 176.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 m -61.66 -40.62 95.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 1.96 109.989 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.511 -0.768 . . . . 2.42 110.214 177.921 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.788 0.328 . . . . 4.42 110.273 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -71.51 -27.3 63.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 4.65 111.287 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -71.41 -32.18 68.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.485 -0.325 . . . . 3.16 111.44 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 88.4 mmm -55.95 -38.89 70.95 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.221 0.452 . . . . 3.28 112.221 -176.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.6 p -64.33 -40.85 96.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.106 0.479 . . . . 1.58 110.408 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.2 -51.2 70.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.668 -0.696 . . . . 1.83 110.975 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -62.59 -39.96 95.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.083 -0.508 . . . . 3.67 110.168 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -61.73 -43.77 98.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 1.73 110.797 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.478 ' O ' HG23 ' A' ' 140' ' ' VAL . 73.9 mtm -65.99 -39.68 90.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.76 -0.2 . . . . 1.05 110.693 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 82.7 mmm -59.54 -44.87 93.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.01 0.433 . . . . 1.44 110.528 174.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -63.95 -34.98 79.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.627 . . . . 3.44 110.464 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 52.7 m -65.9 -44.27 85.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.732 -0.667 . . . . 1.16 110.446 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.631 HG11 HG22 ' A' ' 76' ' ' VAL . 79.6 t -57.04 -47.9 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 1.15 110.75 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.509 HD21 HD21 ' A' ' 189' ' ' LEU . 54.3 mt -67.56 -33.45 75.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.281 -0.418 . . . . 1.45 110.702 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.729 ' HG2' ' HE3' ' A' ' 146' ' ' LYS . 40.6 ttmt -60.57 -45.9 92.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 3.01 109.901 175.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . 0.901 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 63.6 m-20 -66.76 -28.43 68.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 1.64 111.428 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.472 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 39.9 ttmt -61.46 -36.7 81.15 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.562 -0.533 . . . . 1.8 109.562 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.468 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 35.4 m80 -63.97 -36.78 85.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.84 110.418 175.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 1.065 ' HB3' HG21 ' A' ' 41' ' ' ILE . 1.4 mptm? -62.24 -35.84 80.16 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.986 0.422 . . . . 2.66 110.46 174.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.53 HG12 HD11 ' A' ' 41' ' ' ILE . 69.8 mt -63.02 -43.06 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.59 110.554 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.95 -43.91 98.02 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.308 -0.405 . . . . 2.39 110.458 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 38.2 mt-10 -58.61 -39.11 79.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 121.252 0.548 . . . . 2.47 110.104 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 44' ' ' PHE . 61.3 m -68.17 -52.83 30.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.411 -0.813 . . . . 0.71 111.352 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 147' ' ' ILE . 51.0 mm -58.9 -42.95 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.403 . . . . 1.05 110.382 -178.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 156' ' ' GLU . . . -59.71 -53.52 57.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.758 -0.655 . . . . 0.49 110.888 177.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 56.7 m -61.8 -43.75 98.22 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.489 -0.323 . . . . 0.54 111.6 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 7.9 mp -62.94 -36.9 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 1.37 111.023 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.531 ' HA ' ' HD3' ' A' ' 158' ' ' LYS . 18.2 t70 -74.7 -25.12 58.93 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.826 -0.349 . . . . 0.78 110.367 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 152' ' ' ALA . 24.6 mm-40 -68.82 -31.15 69.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 2.52 110.402 175.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.407 ' HB2' ' HZ ' ' A' ' 58' ' ' PHE . 22.0 m-85 -63.3 -40.09 96.38 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.675 -0.491 . . . . 0.92 109.675 172.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.664 ' HD2' ' HD2' ' A' ' 171' ' ' PHE . 8.1 mtpm? -64.36 -35.19 80.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.685 -0.689 . . . . 1.93 110.106 174.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -65.64 -49.63 67.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.274 -0.876 . . . . 3.78 110.928 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -75.75 -34.74 60.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 2.94 111.35 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.559 ' O ' HG21 ' A' ' 168' ' ' THR . . . -129.24 99.12 5.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.454 -0.339 . . . . 1.97 110.896 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 5.4 p -86.46 -61.72 1.68 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.017 0.436 . . . . 3.67 110.535 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -78.39 118.9 5.02 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.91 -0.662 . . . . 3.19 111.779 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 173.38 -173.36 45.7 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.757 -0.735 . . . . 2.95 111.998 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 43.1 m -106.11 11.52 31.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.828 0.346 . . . . 3.61 110.934 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 3.62 111.015 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 103.7 28.77 5.84 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.972 -0.633 . . . . 1.32 111.569 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.559 HG21 ' O ' ' A' ' 161' ' ' ALA . 18.9 p -56.36 -49.64 73.82 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.906 0.483 . . . . 1.5 112.274 -176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -71.85 -31.33 66.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.146 0.498 . . . . 3.65 110.745 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 47.2 ttp -71.04 -34.66 71.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.062 -0.517 . . . . 1.37 110.024 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.665 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 83.4 t80 -67.53 -27.92 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.9 110.6 176.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.13 -46.6 80.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.075 0.464 . . . . 2.38 110.035 176.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.3 -39.15 89.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 2.29 110.501 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -69.68 -37.78 76.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.73 -0.668 . . . . 3.45 110.596 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -55.76 -54.95 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 1.22 111.04 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.37 -37.3 85.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 1.35 111.671 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.83 -41.69 71.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 2.03 110.989 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -66.66 -49.67 65.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.91 111.175 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.83 -31.75 72.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.64 -0.254 . . . . 1.63 111.065 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -69.5 -45.71 68.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.477 -0.329 . . . . 3.14 110.896 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 7.2 t -73.31 -28.9 62.35 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.072 0.463 . . . . 1.29 109.955 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 25.3 ttt -65.47 -47.98 74.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.042 -0.526 . . . . 0.66 110.124 175.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -66.6 -29.94 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.045 -0.525 . . . . 0.71 111.701 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 181' ' ' THR . 6.6 pttp -72.76 -44.55 61.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.458 0.647 . . . . 2.83 109.795 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 188' ' ' LYS . 20.4 ttmm -78.24 -8.47 58.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.361 -0.836 . . . . 2.06 110.519 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 27.4 t70 -69.44 -27.71 65.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.43 -0.804 . . . . 1.16 110.752 177.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 91.8 mt -53.04 -45.79 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 2.35 111.635 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . 0.537 ' O ' HG13 ' A' ' 192' ' ' ILE . 21.9 ptmt -68.9 -28.92 67.12 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 121.036 -0.265 . . . . 2.76 110.751 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.509 HD21 HD21 ' A' ' 141' ' ' LEU . 7.1 tt -65.61 -50.26 65.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.402 -0.592 . . . . 1.24 109.402 177.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -19.24 62.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.719 -0.673 . . . . 2.24 110.724 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 5.9 tp10 -65.81 -45.5 82.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.139 -0.689 . . . . 2.86 109.139 174.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' ILE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 80' ' ' ALA . 58.8 mt -59.3 -51.31 74.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.608 -0.724 . . . . 1.24 110.971 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 24.6 p -58.97 -37.97 78.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.931 0.396 . . . . 1.75 110.851 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.01 -52.55 34.36 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.899 -0.591 . . . . 3.84 110.497 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 74.0 mt -61.72 -43.15 99.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.499 -0.319 . . . . 3.54 111.457 -176.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 51.3 tp . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 120.864 0.364 . . . . 3.31 110.537 -179.671 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 32.1 Cg_exo . . . . . 0 N--CA 1.465 -0.204 0 CA-C-O 121.138 0.391 . . . . 1.71 111.699 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 43' ' ' TYR . 21.6 mt -65.05 -37.65 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.663 -0.699 . . . . 2.27 111.256 -176.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 80.4 mt -61.45 -47.3 86.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.888 0.375 . . . . 2.13 110.151 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' ' 13' ' ' PRO . . . -66.94 -43.21 83.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.9 -0.591 . . . . 1.02 111.115 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -61.2 -40.12 92.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 2.23 110.909 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' O ' ' HG2' ' A' ' 22' ' ' MET . 83.7 t80 -65.39 -48.33 73.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.055 -0.52 . . . . 1.52 110.449 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 44.7 mt-10 -60.79 -36.87 80.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.276 -0.42 . . . . 2.43 110.748 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.74 -47.35 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 1.99 110.367 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.502 ' CE2' ' HB2' ' A' ' 38' ' ' PHE . 45.0 m0 -65.43 -38.91 91.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.028 -0.533 . . . . 1.14 111.016 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 28.9 mmt -61.15 -43.48 98.82 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.82 -0.437 . . . . 1.4 109.82 177.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.745 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.21 -39.28 89.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.645 -0.707 . . . . 3.34 110.235 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 80.0 mmm -58.38 -44.19 88.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.541 . . . . 1.35 110.806 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.64 72.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 1.17 111.733 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 p -71.99 -36.86 69.9 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.801 0.297 . . . . 1.45 111.801 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.89 -11.41 59.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.64 0.257 . . . . 2.5 110.524 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.1 t30 60.66 40.3 16.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.934 0.874 . . . . 2.34 109.903 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -83.56 -4.42 58.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.494 -0.776 . . . . 3.29 109.931 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.708 ' HA ' HD21 ' A' ' 34' ' ' ASN . 2.8 tt -78.22 83.63 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.917 0.865 . . . . 0.81 110.442 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -73.23 160.04 32.53 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.643 -0.873 . . . . 2.15 108.643 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.54 -14.05 62.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.107 0.41 . . . . 1.0 112.107 -173.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.35 -34.47 55.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.011 0.434 . . . . 1.24 110.604 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.708 HD21 ' HA ' ' A' ' 30' ' ' ILE . 1.9 p-10 -111.83 13.18 20.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 1.45 111.714 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.45 ' HA ' HG13 ' A' ' 30' ' ' ILE . 6.5 p -72.06 -20.99 61.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.566 0.698 . . . . 1.07 109.23 174.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.473 ' CZ2' ' HB2' ' A' ' 78' ' ' SER . 19.2 m95 -78.49 177.38 8.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.983 -1.008 . . . . 0.9 109.242 171.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.1 0.4 1.25 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.874 1.064 . . . . 2.37 113.874 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.502 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 5.0 p90 -150.11 132.88 15.96 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.682 -0.636 . . . . 1.61 110.314 166.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.617 ' HB1' HG22 ' A' ' 41' ' ' ILE . . . -133.78 123.26 24.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.832 -0.622 . . . . 1.04 110.808 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 mt -69.31 -23.24 63.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.253 -0.431 . . . . 1.62 110.567 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.617 HG22 ' HB1' ' A' ' 39' ' ' ALA . 10.0 tp -59.27 -29.15 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.662 -0.699 . . . . 1.81 111.395 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.74 -42.51 93.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 2.45 110.637 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 14' ' ' ILE . 94.6 m-85 -84.43 -28.14 27.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.917 -0.583 . . . . 1.91 111.168 177.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CE2' ' HB ' ' A' ' 150' ' ' THR . 21.5 t80 -67.64 -32.23 72.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.866 -0.606 . . . . 2.0 109.849 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -64.52 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.76 -0.655 . . . . 1.33 111.741 -177.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -103.04 116.69 33.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.809 0.814 . . . . 2.94 109.56 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.563 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 67.9 mtm -90.25 81.01 6.13 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.615 -0.721 . . . . 1.99 111.16 -173.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 t -93.09 -28.92 16.05 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.44 -0.578 . . . . 3.73 109.44 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.42 HD12 HG22 ' A' ' 14' ' ' ILE . 10.5 tt -89.75 -45.41 9.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 2.19 111.688 -175.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.39 -3.67 43.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 3.39 111.875 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HB3' ' O ' ' A' ' 47' ' ' MET . 29.0 ttpp -109.64 132.67 53.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.998 -0.371 . . . . 3.18 109.998 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -107.63 106.62 17.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.332 -0.618 . . . . 2.55 109.332 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.44 -105.75 1.73 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.567 -0.825 . . . . 1.64 111.676 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -121.44 15.09 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.865 0.364 . . . . 2.87 110.423 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 m -130.96 130.62 43.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.07 -0.514 . . . . 1.64 109.646 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 1.6 p -95.05 132.6 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-O 120.896 0.379 . . . . 0.63 110.345 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -63.43 102.37 0.41 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.344 -0.984 . . . . 2.33 108.344 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.851 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 71.7 m-85 -67.66 -8.35 34.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.791 0.329 . . . . 0.82 111.606 -174.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -70.39 -46.31 64.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.478 -0.934 . . . . 1.65 108.478 171.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -76.11 -33.98 59.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.095 -0.957 . . . . 2.25 110.186 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.716 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -55.9 -44.42 78.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.187 0.517 . . . . 0.62 110.616 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.672 ' HB3' ' HG2' ' A' ' 174' ' ' ARG . 45.6 m -68.92 -44.37 73.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 1.13 111.122 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 84.8 m -66.5 -37.25 84.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.475 -0.33 . . . . 0.99 111.751 -177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -70.12 -43.6 70.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.788 -0.187 . . . . 1.36 110.838 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.0 -46.45 90.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.019 0.438 . . . . 1.52 110.309 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.42 -40.02 92.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.564 -0.744 . . . . 0.82 110.744 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.55 -39.54 86.71 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.92 -0.657 . . . . 0.56 112.198 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' HA ' HG22 ' A' ' 71' ' ' ILE . 86.3 m -63.59 -42.31 98.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.588 0.218 . . . . 1.16 111.588 -178.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.75 -36.63 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.359 -0.537 . . . . 1.54 110.568 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.67 -50.81 63.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.467 -0.333 . . . . 2.91 111.393 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 30' ' ' ILE . 12.6 tt -68.35 -34.21 64.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.683 -0.235 . . . . 1.22 110.709 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 144' ' ' LYS . 87.3 t80 -55.35 -56.46 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.86 110.625 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.585 HG21 ' HB2' ' A' ' 185' ' ' LYS . 17.5 p -70.62 -25.79 63.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.302 -0.408 . . . . 0.65 111.613 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.1 t -63.44 -40.16 96.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.537 0.684 . . . . 1.3 109.342 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 79' ' ' VAL . 40.3 mtp180 -67.9 -30.34 69.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.407 -0.815 . . . . 1.69 109.972 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 72' ' ' TYR . 97.8 t -66.45 -37.11 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.273 -0.421 . . . . 0.78 110.485 175.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.23 -38.27 76.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.148 0.499 . . . . 1.87 109.915 174.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.473 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 7.8 m -62.27 -47.93 82.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.679 -0.691 . . . . 1.25 110.536 173.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 75' ' ' ARG . 3.5 t -62.43 -25.09 36.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-N 115.902 -0.59 . . . . 1.4 110.944 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HA ' HG13 ' A' ' 192' ' ' ILE . . . -57.53 -36.86 72.14 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.678 0.275 . . . . 1.45 111.368 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -76.53 -41.48 46.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.124 0.964 . . . . 1.96 109.672 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.7 ' HB3' HD11 ' A' ' 133' ' ' LEU . 7.5 mm-40 . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 114.192 -1.367 . . . . 2.42 111.886 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.234 0.54 . . . . 4.42 111.909 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -62.05 -27.99 69.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.381 -0.827 . . . . 4.65 112.837 -171.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.14 -36.76 66.13 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.907 0.706 . . . . 3.16 112.907 -171.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.7 mtt -63.47 -26.35 68.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.737 0.643 . . . . 3.28 112.737 -171.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -63.52 -33.55 75.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.166 0.508 . . . . 1.58 109.756 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.7 HD11 ' HB3' ' A' ' 82' ' ' GLU . 2.0 mm? -69.51 -33.4 72.77 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 113.434 0.901 . . . . 1.83 113.434 -174.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.21 -45.28 79.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.559 0.695 . . . . 3.67 109.195 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -68.72 -47.72 65.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.918 -1.037 . . . . 1.73 111.224 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.452 ' O ' ' HB ' ' A' ' 139' ' ' THR . 38.2 ttp -70.11 -38.21 75.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.335 0.494 . . . . 1.05 112.335 -172.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -43.39 88.51 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.181 -0.674 . . . . 1.44 109.181 176.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.59 -34.94 73.38 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.624 -0.51 . . . . 3.44 109.624 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 143' ' ' ASP . 91.5 m -61.77 -46.76 88.2 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 115.885 -0.598 . . . . 1.16 110.567 174.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 136' ' ' MET . 63.1 t -63.59 -49.51 82.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.55 -0.296 . . . . 1.15 111.597 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.74 -44.99 95.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.959 0.409 . . . . 1.45 110.797 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.424 ' HG3' ' HD3' ' A' ' 146' ' ' LYS . 22.9 tptm -66.75 -28.51 68.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.026 -0.534 . . . . 3.01 110.138 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 139' ' ' THR . 0.8 OUTLIER -62.69 -41.27 99.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.82 -0.627 . . . . 1.64 109.813 178.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 87.0 tttt -60.38 -44.38 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.46 -0.791 . . . . 1.8 110.112 176.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -66.42 -33.02 74.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.84 110.495 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.424 ' HD3' ' HG3' ' A' ' 142' ' ' LYS . 4.5 mptp? -65.61 -41.87 92.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.897 -0.592 . . . . 2.66 110.599 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.542 ' O ' HG13 ' A' ' 151' ' ' ILE . 72.5 mt -58.3 -44.18 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.59 109.756 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 144' ' ' LYS . 35.7 mt-10 -61.48 -32.31 72.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.851 -0.613 . . . . 2.39 111.545 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.94 -52.37 65.3 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.069 0.462 . . . . 2.47 110.221 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . 0.487 ' HB ' ' CE2' ' A' ' 44' ' ' PHE . 61.8 m -66.24 -37.83 86.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.84 -0.618 . . . . 0.71 111.321 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 147' ' ' ILE . 80.9 mt -55.44 -45.5 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.843 0.354 . . . . 1.05 110.203 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.5 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.815 -0.63 . . . . 0.49 110.764 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 156' ' ' GLU . 55.5 m -60.1 -41.03 91.68 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.241 -0.436 . . . . 0.54 111.523 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.556 HD11 ' SD ' ' A' ' 47' ' ' MET . 4.8 mp -65.22 -42.0 93.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.699 0.285 . . . . 1.37 111.343 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -68.53 -30.71 69.57 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.574 -0.528 . . . . 0.78 109.574 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 153' ' ' THR . 5.5 mm-40 -59.61 -43.93 93.59 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.744 -0.662 . . . . 2.52 110.731 174.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.473 ' HB3' ' HZ ' ' A' ' 58' ' ' PHE . 63.2 m-85 -58.47 -44.69 89.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.047 0.451 . . . . 0.92 110.338 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.615 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 28.0 ttpp -67.01 -27.48 67.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 1.93 111.471 -177.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -87.88 -37.35 16.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.887 0.375 . . . . 3.78 110.807 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 14.2 mptt -67.55 -46.71 71.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.156 -0.475 . . . . 2.94 110.749 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.18 122.44 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.001 0.429 . . . . 1.97 110.74 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 19.5 m -75.36 -37.49 60.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 3.67 111.26 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -99.25 -46.31 2.04 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.863 -0.684 . . . . 3.19 112.037 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 70.43 63.19 3.33 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.033 -0.603 . . . . 2.95 112.885 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 25.7 t -81.35 -7.03 59.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.895 0.379 . . . . 3.61 110.769 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -84.65 5.34 28.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.486 -0.324 . . . . 3.62 111.698 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 94.92 39.21 4.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.663 -0.78 . . . . 1.32 112.589 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.615 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 9.3 p -62.49 -40.98 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.784 0.325 . . . . 1.5 111.557 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -64.86 -44.06 90.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 3.65 110.787 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -62.11 -47.49 84.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.931 -0.577 . . . . 1.37 109.965 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.851 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 71.0 t80 -60.75 -40.49 92.62 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.9 111.08 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.606 ' HB2' ' HD2' ' A' ' 158' ' ' LYS . 36.5 tt0 -61.25 -43.88 98.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.809 0.338 . . . . 2.38 110.801 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.56 -35.3 78.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.932 -0.577 . . . . 2.29 110.622 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.672 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 8.3 tpt180 -75.07 -39.99 60.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.356 -0.384 . . . . 3.45 110.819 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.566 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 32.9 ttpt -57.71 -53.86 53.43 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.406 -0.361 . . . . 1.22 111.062 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 6.7 pt-20 -53.14 -44.37 67.69 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.306 -0.407 . . . . 1.35 111.167 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -74.63 -35.19 62.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.664 0.269 . . . . 2.03 111.195 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.19 97.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.444 -0.344 . . . . 0.91 110.349 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 83.4 mt -65.01 -40.94 95.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.543 . . . . 1.63 110.23 177.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 176' ' ' GLU . 66.7 mttm -61.42 -47.57 85.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 3.14 110.516 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . 0.532 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 49.9 m -60.83 -44.1 97.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 1.29 110.746 177.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.4 ttt -60.9 -40.27 92.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.66 110.67 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.99 76.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.71 111.305 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 180' ' ' LYS . 8.5 mtpm? -68.39 -48.2 65.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.966 0.412 . . . . 2.83 110.72 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.585 ' HB2' HG21 ' A' ' 73' ' ' THR . 13.9 ptpt -77.7 -7.49 56.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.349 -0.387 . . . . 2.06 111.702 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -66.19 -33.14 75.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.37 -0.377 . . . . 1.16 110.951 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 4.7 pp -65.15 -23.49 67.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 2.35 111.043 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -65.51 -44.53 86.69 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.722 -0.473 . . . . 2.76 109.722 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.94 -44.22 94.49 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.785 -0.643 . . . . 1.24 109.912 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -57.55 -41.73 81.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.508 -0.769 . . . . 2.24 110.587 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.94 -40.95 97.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.033 -0.531 . . . . 2.86 111.264 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' ILE . . . . . 0.568 HG13 ' HA ' ' A' ' 80' ' ' ALA . 1.7 mp -56.99 -51.85 63.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.844 0.354 . . . . 1.24 110.359 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 196' ' ' LEU . 16.3 p -70.55 -29.29 65.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 1.75 111.536 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.25 -53.05 62.34 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.345 -0.388 . . . . 3.84 110.809 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.57 -36.75 74.44 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.912 -0.586 . . . . 3.54 110.627 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 193' ' ' THR . 51.0 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.232 -0.894 . . . . 3.31 111.561 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo . . . . . 0 C--O 1.235 0.348 0 CA-C-O 120.606 0.169 . . . . 1.71 111.767 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -63.21 -26.13 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.307 -0.406 . . . . 2.27 110.479 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.89 -44.89 67.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.469 -0.332 . . . . 2.13 111.012 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.32 -24.7 59.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 1.02 111.134 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -81.92 -42.76 19.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.066 -0.515 . . . . 2.23 110.143 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -66.54 -38.84 88.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 1.52 111.12 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.09 -27.91 69.09 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.872 0.368 . . . . 2.43 110.718 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.81 -36.91 76.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.514 -0.55 . . . . 1.99 109.514 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.422 ' HZ3' ' O ' ' A' ' 39' ' ' ALA . 21.7 m0 -66.23 -38.58 88.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.638 -0.71 . . . . 1.14 110.307 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -45.0 94.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.15 -0.477 . . . . 1.4 110.248 175.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.72 -45.01 95.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 3.34 110.143 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.673 ' HG3' ' HB ' ' A' ' 30' ' ' ILE . 41.6 tpp -56.17 -46.34 79.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.549 -0.75 . . . . 1.35 110.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD12 ' A' ' 71' ' ' ILE . . . -69.5 -48.43 60.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.005 -0.543 . . . . 1.17 112.01 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 p -69.81 -38.64 76.67 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.215 0.45 . . . . 1.45 112.215 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' OD1' ' HB2' ' A' ' 29' ' ' LYS . 37.0 t70 -76.18 -10.29 59.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 2.5 110.257 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.7 m120 61.61 27.67 17.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.551 -0.75 . . . . 2.34 109.802 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HB2' ' OD1' ' A' ' 27' ' ' ASP . 87.2 tttt -77.94 -8.8 58.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.987 -1.006 . . . . 3.29 109.971 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.673 ' HB ' ' HG3' ' A' ' 24' ' ' MET . 7.4 tt -70.79 85.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.832 0.825 . . . . 0.81 111.048 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.415 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 37.0 m-80 -61.55 154.19 25.49 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.23 -0.896 . . . . 2.15 109.191 174.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.686 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -60.07 -34.15 73.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -175.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.14 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 1.24 111.146 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.601 HD21 ' HA ' ' A' ' 30' ' ' ILE . 2.2 p-10 -110.42 15.97 21.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.98 -0.555 . . . . 1.45 110.202 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.686 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.1 t -70.78 -20.92 62.55 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.938 -1.134 . . . . 1.07 107.938 174.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.461 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 52.8 m95 -96.29 163.04 13.25 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.931 -1.486 . . . . 0.9 109.591 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 46.3 m-80 71.75 1.2 3.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.603 0.761 . . . . 2.37 111.309 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -110.27 105.79 14.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.391 -0.368 . . . . 1.61 110.749 175.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -123.34 116.07 22.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.706 -0.479 . . . . 1.04 109.706 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 68' ' ' CYS . 10.2 mt -75.54 -44.53 43.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.153 0.501 . . . . 1.62 111.769 -177.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.588 ' HA ' ' HB3' ' A' ' 44' ' ' PHE . 10.5 mm -66.74 -27.13 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.724 . . . . 1.81 111.389 -167.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -52.69 -45.0 66.64 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.043 0.449 . . . . 2.45 110.387 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -84.56 -31.69 24.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 1.91 110.767 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CE2' HG21 ' A' ' 150' ' ' THR . 40.9 t80 -66.41 -33.5 75.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 2.0 110.635 -177.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.483 ' NE2' ' HB3' ' A' ' 149' ' ' GLU . 0.2 OUTLIER -68.03 -44.47 76.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 1.33 111.883 -177.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 47' ' ' MET . 20.6 t70 -60.99 -28.96 69.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 2.94 111.045 -175.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.729 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 32.5 mtt 76.88 -41.19 0.39 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.357 0.873 . . . . 1.99 113.357 174.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -47.86 -37.65 14.39 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.738 0.644 . . . . 3.73 112.738 -173.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.7 tp -80.01 -33.17 39.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.333 0.494 . . . . 2.19 112.333 -170.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.1 tp -120.02 -19.87 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.382 0.512 . . . . 3.39 112.382 -169.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.729 ' HD3' ' HA ' ' A' ' 47' ' ' MET . 13.8 mptt -83.57 -179.87 7.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.954 0.407 . . . . 3.18 111.43 -175.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -96.71 78.44 2.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.773 -0.649 . . . . 2.55 109.946 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.56 -105.18 1.07 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.801 -0.714 . . . . 1.64 112.0 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.1 0.66 38.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.678 0.275 . . . . 2.87 111.06 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 8.5 t -134.27 -167.26 1.93 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.964 -0.384 . . . . 1.64 109.964 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.662 ' HB ' ' HG3' ' A' ' 51' ' ' LYS . 7.2 p -153.34 129.75 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-O 121.566 0.698 . . . . 0.63 110.552 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.445 ' C ' ' H ' ' A' ' 59' ' ' GLN . 49.7 t-20 -84.31 120.31 26.1 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 106.556 -1.646 . . . . 2.33 106.556 168.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.739 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 70.0 m-85 -67.57 4.7 0.98 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.651 -0.704 . . . . 0.82 111.104 -174.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 57' ' ' ASN . 29.5 tt0 -73.72 -59.61 2.64 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.343 0.592 . . . . 1.65 109.509 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -72.8 -26.92 61.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.309 -0.86 . . . . 2.25 110.095 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.739 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -62.97 -46.59 87.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.791 -0.641 . . . . 0.62 110.633 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.635 ' HB2' ' HD1' ' A' ' 171' ' ' PHE . 35.5 t -68.28 -40.39 81.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.406 -0.361 . . . . 1.13 110.656 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.3 t -55.81 -49.16 73.99 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.238 0.542 . . . . 0.99 110.564 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -73.22 -30.59 63.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.807 -0.633 . . . . 1.36 110.565 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.655 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 50.8 tp -63.01 -46.41 87.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.475 -0.329 . . . . 1.52 110.261 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.82 -45.6 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.287 0.565 . . . . 0.82 109.942 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.88 -42.25 86.41 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.402 -0.817 . . . . 0.56 113.133 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.655 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 31.3 p -69.22 -38.33 78.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.073 0.437 . . . . 1.16 111.838 -174.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.73 -36.04 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.554 -0.458 . . . . 1.54 109.931 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -67.42 -49.54 63.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 2.91 111.318 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.596 HD12 ' HB2' ' A' ' 25' ' ' ALA . 10.1 tt -67.17 -38.62 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.681 0.277 . . . . 1.22 111.591 -176.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -65.93 -39.38 90.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.674 0.273 . . . . 0.86 110.469 -178.403 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.444 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 12.6 p -76.17 -25.75 55.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.604 -0.271 . . . . 0.65 110.964 176.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 t -62.52 -34.18 76.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.41 -0.589 . . . . 1.3 109.41 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.557 ' NH2' ' HA ' ' A' ' 140' ' ' VAL . 58.9 mtm180 -68.33 -36.72 79.69 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.887 -0.597 . . . . 1.69 109.907 175.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.532 HG22 HD13 ' A' ' 189' ' ' LEU . 99.2 t -56.95 -44.25 82.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.178 0.513 . . . . 0.78 109.732 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.29 -27.49 69.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.741 -0.663 . . . . 1.87 111.013 176.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 m -67.69 -33.82 75.67 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.774 0.321 . . . . 1.25 110.574 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG11 ' CE ' ' A' ' 137' ' ' MET . 21.9 t -65.94 -40.4 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.253 -0.647 . . . . 1.4 109.253 173.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.35 -26.67 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.552 -0.749 . . . . 1.45 110.645 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.5 m -67.15 -32.12 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 1.96 109.982 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 2.42 109.998 174.859 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.14 0.495 . . . . 4.42 111.231 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -70.75 -23.72 62.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 4.65 112.396 -176.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.59 -25.47 26.52 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.25 0.463 . . . . 3.16 112.25 -175.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 24.1 mmt -54.72 -27.97 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.526 0.565 . . . . 3.28 112.526 -175.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.9 m -64.01 -37.82 88.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.979 0.419 . . . . 1.58 110.419 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.516 HD22 ' CE ' ' A' ' 136' ' ' MET . 0.2 OUTLIER -67.18 -42.59 84.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.835 -0.802 . . . . 1.83 108.835 177.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -60.42 -38.7 84.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.623 -0.717 . . . . 3.67 110.336 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -61.26 -45.41 94.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.05 -0.523 . . . . 1.73 110.737 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.516 ' CE ' HD22 ' A' ' 133' ' ' LEU . 59.2 mtm -68.97 -38.43 79.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 1.05 110.708 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.439 ' CE ' HG11 ' A' ' 79' ' ' VAL . 19.8 mmt -62.6 -38.44 90.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.103 0.478 . . . . 1.44 110.049 174.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -60.73 -38.15 84.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.5 -0.773 . . . . 3.44 110.26 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 28.1 m -62.15 -47.7 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 1.16 110.185 175.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.557 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 85.1 t -59.05 -50.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.779 -0.646 . . . . 1.15 111.038 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.89 -38.39 90.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.891 -0.595 . . . . 1.45 111.779 -176.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -59.4 -51.88 68.0 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.244 -0.182 . . . . 3.01 110.864 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . 0.612 ' O ' HG13 ' A' ' 147' ' ' ILE . 5.1 m-20 -59.99 -44.32 94.6 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.998 -0.371 . . . . 1.64 109.998 177.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -53.75 -53.57 50.35 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.3 0.375 . . . . 1.8 111.386 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -62.88 -42.31 99.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.84 110.584 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -65.93 -31.28 72.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.556 . . . . 2.66 111.182 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.612 HG13 ' O ' ' A' ' 143' ' ' ASP . 74.5 mt -60.83 -50.73 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 110.394 -0.225 . . . . 0.59 110.394 176.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -55.62 -44.28 76.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.224 0.535 . . . . 2.39 110.376 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.483 ' HB3' ' NE2' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -61.05 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.344 -0.843 . . . . 2.47 110.357 178.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . 0.63 HG21 ' CE2' ' A' ' 44' ' ' PHE . 53.8 m -66.69 -49.32 66.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.522 . . . . 0.71 111.347 -178.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.429 HD13 HD21 ' A' ' 179' ' ' LEU . 71.8 mt -59.41 -42.74 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.387 . . . . 1.05 110.449 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.43 95.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.315 -0.402 . . . . 0.49 110.906 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 41.5 m -64.69 -51.01 64.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.54 111.076 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.24 -33.08 74.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 1.37 110.83 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 20.0 t70 -62.0 -45.32 94.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.071 -0.513 . . . . 0.78 110.585 175.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.439 ' O ' ' HD3' ' A' ' 160' ' ' LYS . 49.1 mt-10 -69.7 -29.71 67.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 2.52 110.772 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -66.25 -30.67 71.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.928 0.394 . . . . 0.92 110.285 174.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 158' ' ' LYS . 9.3 mtpm? -73.19 -25.1 60.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 1.93 110.389 175.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 155' ' ' ASP . 77.6 mtt180 -73.14 -38.91 66.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 3.78 109.819 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 5.7 mptp? -66.79 -52.92 38.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.982 -0.554 . . . . 2.94 110.049 173.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -107.83 85.53 2.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 1.97 110.428 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 36.1 m -91.06 2.64 56.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.029 -0.532 . . . . 3.67 110.624 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -95.12 -151.94 28.84 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.892 -0.671 . . . . 3.19 112.215 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -103.05 40.22 2.51 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.918 -0.658 . . . . 2.95 112.603 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 26.6 t -66.59 -33.23 75.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.224 0.535 . . . . 3.61 110.052 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -146.68 -174.56 4.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 3.62 109.398 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.83 61.04 2.54 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.615 -0.803 . . . . 1.32 112.056 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 6.2 p -67.33 -50.01 61.77 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.164 0.431 . . . . 1.5 112.164 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -66.08 -42.32 89.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 3.65 110.627 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 57.6 ttp -61.01 -38.3 85.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 1.37 110.66 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.635 ' HD1' ' HB2' ' A' ' 62' ' ' SER . 92.4 t80 -66.0 -33.07 74.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.918 -0.583 . . . . 0.9 111.123 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.04 -45.88 76.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 2.38 110.439 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.34 -42.01 88.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.915 -0.584 . . . . 2.29 110.777 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -70.95 -31.84 68.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.155 -0.475 . . . . 3.45 111.117 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 27.0 ttmt -57.77 -55.15 38.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 1.22 110.791 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.88 -33.91 75.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 1.35 111.08 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -73.47 -42.6 61.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 2.03 110.726 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.99 99.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.91 110.528 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 87.0 mt -60.96 -39.31 89.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 1.63 111.005 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 184' ' ' LYS . 52.5 tptt -62.21 -46.2 89.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 3.14 110.373 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 19.8 m -66.64 -40.66 88.83 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.182 0.515 . . . . 1.29 110.717 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.9 -46.66 89.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 0.66 110.845 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -60.22 -35.34 75.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.71 111.727 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 180' ' ' LYS . 99.7 mttt -55.98 -51.89 66.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 2.83 110.977 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.427 ' HB2' HG21 ' A' ' 73' ' ' THR . 34.9 mmtp -76.71 -27.83 55.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.953 -0.567 . . . . 2.06 110.66 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' ASP . . . . . 0.442 ' HB3' ' HA ' ' A' ' 183' ' ' ALA . 31.8 t70 -66.35 -35.03 79.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 1.16 110.957 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 94.2 mt -60.73 -43.14 98.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.629 -0.508 . . . . 2.35 109.629 173.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -65.39 -40.15 93.1 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.753 -0.658 . . . . 2.76 110.106 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.532 HD13 HG22 ' A' ' 76' ' ' VAL . 52.9 tp -54.7 -43.93 72.96 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.846 0.355 . . . . 1.24 111.028 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.37 -40.95 96.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.446 . . . . 2.24 111.54 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -70.32 -45.74 65.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.24 0.543 . . . . 2.86 110.683 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' ILE . . . . . 1.053 HG23 HD12 ' A' ' 196' ' ' LEU . 45.2 mt -57.17 -51.5 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.323 -0.853 . . . . 1.24 111.308 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 12.4 p -61.45 -47.42 85.78 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.848 -0.341 . . . . 1.75 111.116 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -62.44 -57.35 11.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 3.84 111.702 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.28 -53.22 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.482 0.549 . . . . 3.54 112.482 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 1.053 HD12 HG23 ' A' ' 192' ' ' ILE . 63.2 mt . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.572 -0.286 . . . . 3.31 111.739 -170.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 18.7 Cg_exo . . . . . 0 N--CA 1.461 -0.393 0 CA-C-O 121.086 0.369 . . . . 1.71 111.426 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mm -63.64 -32.84 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.767 -0.651 . . . . 2.27 110.516 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.622 ' HA ' HD11 ' A' ' 49' ' ' LEU . 4.1 pp -67.01 -30.52 70.65 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.917 -0.313 . . . . 2.13 110.361 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.523 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -76.28 -32.92 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.07 0.462 . . . . 1.02 109.959 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -44.15 85.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 2.23 110.145 174.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.36 -50.65 73.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 1.52 111.094 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 9.6 pt-20 -69.42 -27.09 64.97 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.866 -0.334 . . . . 2.43 111.025 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -64.7 -41.37 96.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.236 0.541 . . . . 1.99 109.545 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.561 ' HA ' ' HE2' ' A' ' 38' ' ' PHE . 38.6 m0 -65.23 -42.21 93.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.442 -0.799 . . . . 1.14 110.334 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.64 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -68.02 -38.83 83.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.968 -0.56 . . . . 1.4 110.373 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -58.5 -41.88 86.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.778 -0.646 . . . . 3.34 110.038 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.72 ' HG3' ' HB ' ' A' ' 30' ' ' ILE . 46.7 tpp -64.51 -47.32 79.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.217 -0.901 . . . . 1.35 110.592 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . . . -69.06 -51.75 35.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.785 -0.643 . . . . 1.17 112.391 -176.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -62.1 -39.13 91.47 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.56 0.578 . . . . 1.45 112.56 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.16 3.05 28.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.998 0.427 . . . . 2.5 110.59 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.6 t30 61.06 25.97 15.95 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.889 0.852 . . . . 2.34 110.179 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -80.78 -16.12 54.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.146 -0.934 . . . . 3.29 109.5 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.815 ' HA ' HD21 ' A' ' 34' ' ' ASN . 6.3 tt -71.0 95.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.14 -0.936 . . . . 0.81 110.85 178.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -71.27 159.87 33.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.817 -0.809 . . . . 2.15 108.817 173.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HA ' ' OG ' ' A' ' 35' ' ' SER . . . -62.67 -34.92 78.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.822 0.344 . . . . 1.0 111.317 -177.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.6 70.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.253 -0.43 . . . . 1.24 111.256 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.815 HD21 ' HA ' ' A' ' 30' ' ' ILE . 2.0 p-10 -110.96 14.53 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 1.45 111.125 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.486 ' HA ' HD11 ' A' ' 30' ' ' ILE . 67.4 m -72.15 -16.62 61.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.148 -1.056 . . . . 1.07 108.148 170.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.471 ' CZ2' ' HB2' ' A' ' 78' ' ' SER . 22.4 m95 -81.64 152.5 27.12 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 114.369 -1.287 . . . . 0.9 109.428 173.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 36' ' ' TRP . 7.2 t30 71.29 -2.18 2.48 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.179 0.925 . . . . 2.37 110.795 -173.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' HE2' ' HA ' ' A' ' 21' ' ' TRP . 11.7 m-85 -108.7 94.4 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.762 0.315 . . . . 1.61 110.76 175.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.493 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -136.12 117.09 14.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.088 0.47 . . . . 1.04 110.497 172.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.403 ' HA ' ' HD1' ' A' ' 43' ' ' TYR . 79.2 mt -73.28 -17.16 61.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.867 -0.606 . . . . 1.62 110.919 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 1.079 ' HA ' ' HD2' ' A' ' 44' ' ' PHE . 15.4 mt -62.62 -29.57 47.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.48 -0.782 . . . . 1.81 111.89 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.09 -29.66 70.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.877 0.37 . . . . 2.45 110.443 176.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.403 ' HD1' ' HA ' ' A' ' 40' ' ' LEU . 96.6 m-85 -73.23 -31.88 64.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 1.91 110.579 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 1.079 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 84.4 m-85 -65.19 -42.72 93.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.367 . . . . 2.0 110.693 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -75.83 -29.13 58.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.131 0.491 . . . . 1.33 110.394 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.94 -58.26 7.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.576 -0.738 . . . . 2.94 111.224 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 50.9 mtt 54.93 40.45 32.01 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.678 -0.692 . . . . 1.99 112.652 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 t -110.77 -32.7 6.77 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.13 -0.692 . . . . 3.73 109.13 169.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' A' ' 15' ' ' LEU . 8.4 tt -90.72 -52.12 5.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.599 -0.728 . . . . 2.19 110.128 178.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -73.45 -32.85 64.59 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.036 -0.529 . . . . 3.39 111.361 -175.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 47' ' ' MET . 47.6 tttp -86.51 126.43 34.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.98 -0.555 . . . . 3.18 110.149 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -122.13 101.5 7.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.03 -0.532 . . . . 2.55 110.4 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.25 -140.83 15.91 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.553 -0.749 . . . . 1.64 112.949 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.36 -29.41 59.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.987 0.422 . . . . 2.87 111.662 -173.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -131.21 -166.22 1.67 Allowed 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.569 -0.53 . . . . 1.64 109.569 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.58 130.52 56.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.311 0.577 . . . . 0.63 109.772 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 15.3 m120 -70.75 111.58 6.31 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.143 -0.935 . . . . 2.33 109.418 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.756 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 50.2 m-85 -70.76 -4.45 23.95 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.867 -0.606 . . . . 0.82 110.962 -176.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.01 -59.25 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.121 -0.696 . . . . 1.65 109.121 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 13.9 ptmm? -64.6 -27.69 69.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.315 -0.857 . . . . 2.25 110.073 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -66.87 -30.62 70.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.806 -0.634 . . . . 0.62 111.017 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.416 ' OG ' ' HG3' ' A' ' 174' ' ' ARG . 66.6 m -70.13 -40.52 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.445 -0.343 . . . . 1.13 110.399 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.6 t -61.11 -49.69 76.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.094 -0.503 . . . . 0.99 110.463 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.6 p -67.56 -26.41 66.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.456 . . . . 1.36 111.169 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HB2' HH21 ' A' ' 174' ' ' ARG . 3.4 tm? -65.29 -52.38 54.56 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.956 -0.387 . . . . 1.52 109.956 176.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.35 -42.09 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.82 110.191 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.589 ' HA2' ' HE2' ' A' ' 70' ' ' LYS . . . -65.59 -35.72 91.52 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.915 -0.66 . . . . 0.56 112.24 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.14 -53.27 52.16 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.578 0.351 . . . . 1.16 111.125 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.13 -37.05 76.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.32 0.581 . . . . 1.54 110.199 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.589 ' HE2' ' HA2' ' A' ' 67' ' ' GLY . 34.4 ttpt -65.7 -50.84 63.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.266 -0.879 . . . . 2.91 111.394 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.428 HD11 ' HB3' ' A' ' 38' ' ' PHE . 16.7 tt -72.76 -33.06 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 1.22 111.176 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.605 ' O ' HG23 ' A' ' 76' ' ' VAL . 33.2 t80 -57.79 -47.38 82.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.86 110.453 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.664 HG21 ' HB3' ' A' ' 185' ' ' LYS . 11.5 p -75.27 -27.89 59.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.359 0.503 . . . . 0.65 112.359 -175.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 p -70.94 -31.45 68.04 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.253 0.549 . . . . 1.3 109.823 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 75' ' ' ARG . 46.3 mtp180 -68.61 -31.78 71.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.647 -0.706 . . . . 1.69 109.917 173.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 192' ' ' ILE . 26.0 t -68.39 -35.3 70.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.2 0.524 . . . . 0.78 109.829 174.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -64.6 -28.94 69.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.869 0.366 . . . . 1.87 110.432 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.471 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 13.7 m -66.14 -48.81 69.57 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.184 0.516 . . . . 1.25 110.621 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.431 HG13 ' CH2' ' A' ' 36' ' ' TRP . 24.3 m -67.69 -28.28 41.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 116.171 -0.468 . . . . 1.4 110.567 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.588 ' HB2' HD13 ' A' ' 192' ' ' ILE . . . -58.3 -48.97 78.79 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.615 0.245 . . . . 1.45 111.431 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.5 m -61.76 -42.72 99.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.159 0.504 . . . . 1.96 110.196 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.759 -0.655 . . . . 2.42 112.009 -179.064 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.118 0.485 . . . . 4.42 111.116 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -62.44 -25.27 67.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.574 -0.739 . . . . 4.65 112.213 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 131' ' ' MET . 6.2 pt-20 -54.42 -32.2 56.82 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.93 0.395 . . . . 3.16 111.151 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.55 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 80.7 mtp -61.69 -38.03 86.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 3.28 110.346 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' A' ' 136' ' ' MET . 24.3 m -73.4 -41.19 63.63 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.821 -0.627 . . . . 1.58 111.161 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 133' ' ' LEU . 3.2 tm? -61.19 -51.97 66.79 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.723 -0.217 . . . . 1.83 111.193 -175.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 131' ' ' MET . 60.3 pttt -65.4 -30.66 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.825 -0.35 . . . . 3.67 110.7 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -67.03 -43.87 81.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 1.73 109.873 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.517 ' O ' HG23 ' A' ' 140' ' ' VAL . 44.5 mtm -63.53 -46.04 87.85 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.211 -0.45 . . . . 1.05 110.824 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.411 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 13.7 mmt -55.12 -43.99 74.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.003 0.43 . . . . 1.44 110.721 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -64.47 -44.46 90.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 3.44 110.543 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 143' ' ' ASP . 91.1 m -58.81 -41.42 86.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 1.16 110.799 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 136' ' ' MET . 75.2 t -62.74 -43.04 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.173 0.511 . . . . 1.15 110.89 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 49.0 mt -73.52 -37.8 65.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.457 -0.338 . . . . 1.45 111.196 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.545 ' HA ' ' ND1' ' A' ' 145' ' ' HIS . 8.3 mtpm? -70.57 -28.52 64.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.019 0.438 . . . . 3.01 110.215 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . 0.56 ' HA ' ' HG3' ' A' ' 146' ' ' LYS . 7.2 t70 -68.51 -31.48 70.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.445 0.64 . . . . 1.64 109.511 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.454 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 17.0 ttmm -61.11 -42.69 98.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.435 -0.802 . . . . 1.8 109.104 172.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.545 ' ND1' ' HA ' ' A' ' 142' ' ' LYS . 26.2 m170 -65.92 -30.13 70.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.162 -0.927 . . . . 0.84 110.517 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.56 ' HG3' ' HA ' ' A' ' 143' ' ' ASP . 38.2 mttp -57.69 -47.2 83.01 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.951 -0.388 . . . . 2.66 109.951 173.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 59.0 mt -59.93 -40.36 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.742 -0.663 . . . . 0.59 110.492 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -54.03 -47.95 71.03 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.973 -0.558 . . . . 2.39 110.47 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -63.16 -40.21 96.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.873 -0.603 . . . . 2.47 110.628 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . 0.512 HG23 ' HB3' ' A' ' 44' ' ' PHE . 68.9 m -59.84 -51.46 69.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.71 111.302 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.17 -41.49 89.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 1.05 110.444 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.35 99.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.49 111.487 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 20.2 m -66.75 -45.5 78.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.533 -0.303 . . . . 0.54 110.634 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.3 -31.68 72.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.936 0.398 . . . . 1.37 110.643 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.562 ' O ' ' HB3' ' A' ' 158' ' ' LYS . 21.1 t70 -64.22 -37.8 88.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.01 -0.541 . . . . 0.78 111.033 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.524 ' OE2' ' HE2' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -77.6 -26.11 50.4 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.587 -0.445 . . . . 2.52 110.139 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.507 ' HA ' ' HD2' ' A' ' 160' ' ' LYS . 8.5 m-85 -66.28 -39.51 89.46 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.61 -0.515 . . . . 0.92 109.61 171.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 155' ' ' ASP . 19.8 ttpt -55.45 -38.71 69.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.333 -0.849 . . . . 1.93 110.173 172.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 156' ' ' GLU . 56.1 ttp180 -63.62 -47.22 82.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.503 -0.771 . . . . 3.78 110.768 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.524 ' HE2' ' OE2' ' A' ' 156' ' ' GLU . 23.5 mttm -63.22 -42.2 99.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.47 -0.332 . . . . 2.94 111.473 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -68.5 95.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.197 0.522 . . . . 1.97 111.05 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 9.7 p -96.41 -5.82 38.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.779 -0.646 . . . . 3.67 110.758 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 172.76 -176.22 45.65 Favored Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.637 -0.711 . . . . 3.19 111.546 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 70.63 29.17 69.92 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.974 -0.631 . . . . 2.95 111.799 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 39.0 t -165.15 135.57 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.981 0.419 . . . . 3.61 110.427 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -96.89 -11.55 24.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.44 0.638 . . . . 3.62 109.671 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -86.19 -4.28 84.13 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.204 -0.907 . . . . 1.32 112.686 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 1.5 m -66.3 -50.51 63.42 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.97 0.385 . . . . 1.5 110.956 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -72.67 -29.46 63.45 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.99 0.424 . . . . 3.65 110.365 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -67.15 -33.92 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 1.37 109.681 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.577 ' O ' ' HG3' ' A' ' 175' ' ' LYS . 73.2 t80 -61.81 -32.26 72.55 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.463 -0.789 . . . . 0.9 110.874 177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.419 ' HG3' ' HE2' ' A' ' 175' ' ' LYS . 36.3 tt0 -62.57 -49.17 76.32 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.131 0.491 . . . . 2.38 110.282 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -61.79 -30.07 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.664 . . . . 2.29 109.807 174.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.451 HH21 ' HB2' ' A' ' 65' ' ' LEU . 3.6 tmt_? -72.82 -29.6 63.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.285 -0.87 . . . . 3.45 110.916 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 171' ' ' PHE . 33.8 mtmt -64.7 -56.19 15.28 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.233 -0.654 . . . . 1.22 109.233 177.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.37 -34.0 77.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.267 -0.879 . . . . 1.35 110.802 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -58.25 -52.12 66.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 2.03 109.989 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.16 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.578 -0.737 . . . . 0.91 111.344 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 86.6 mt -56.72 -48.9 76.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 1.63 111.39 -176.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -68.7 -39.53 80.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.205 -0.452 . . . . 3.14 111.52 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 34.6 m -70.95 -40.93 71.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.197 0.523 . . . . 1.29 110.645 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 27.9 ttt -65.05 -42.73 93.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.769 -0.651 . . . . 0.66 110.639 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -66.86 -33.55 75.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.71 111.671 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 181' ' ' THR . 4.0 ptmm? -71.75 -40.79 69.11 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.6 0.714 . . . . 2.83 109.94 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.664 ' HB3' HG21 ' A' ' 73' ' ' THR . 45.4 mttp -73.94 -29.68 62.15 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.923 -1.035 . . . . 2.06 111.119 175.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.09 -31.32 72.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.034 -0.53 . . . . 1.16 110.971 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 93.0 mt -64.89 -34.64 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.989 -0.551 . . . . 2.35 110.52 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -70.37 -35.16 73.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 2.76 110.366 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.577 ' HG ' HG11 ' A' ' 76' ' ' VAL . 7.5 tt -59.94 -44.1 94.58 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.229 -0.656 . . . . 1.24 109.229 174.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.4 -43.18 93.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.525 -0.761 . . . . 2.24 110.668 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.77 -32.15 73.7 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.484 -0.326 . . . . 2.86 111.205 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' ILE . . . . . 0.611 HD12 HG12 ' A' ' 76' ' ' VAL . 20.4 mt -55.98 -52.28 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 1.24 110.218 175.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 13.3 p -68.83 -42.24 77.46 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.769 -0.372 . . . . 1.75 111.198 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.78 -55.1 33.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 3.84 111.427 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.91 -43.59 74.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.516 . . . . 3.54 111.319 -174.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 192' ' ' ILE . 2.7 mm? . . . . . 0 C--O 1.214 -0.809 0 N-CA-C 111.962 0.356 . . . . 3.31 111.962 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 C--O 1.234 0.324 0 CA-C-O 121.278 0.449 . . . . 1.71 112.834 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mt -61.31 -34.73 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.429 -0.805 . . . . 2.27 110.052 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 7.8 mp -62.5 -46.87 86.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.357 -0.838 . . . . 2.13 110.097 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.68 90.9 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.0 -0.545 . . . . 1.02 111.21 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -60.97 -44.78 96.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.073 0.463 . . . . 2.23 110.067 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.557 ' O ' ' HG2' ' A' ' 22' ' ' MET . 60.8 t80 -63.81 -39.85 95.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.594 -0.73 . . . . 1.52 110.755 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 27.2 mm-40 -59.1 -54.09 51.02 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.125 -0.489 . . . . 2.43 111.557 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.79 -35.05 79.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.886 0.374 . . . . 1.99 110.486 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.569 ' CZ3' ' HE1' ' A' ' 43' ' ' TYR . 9.7 m0 -58.99 -46.04 89.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.954 -0.566 . . . . 1.14 110.697 175.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 26.6 mmt -62.13 -43.25 99.25 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.296 -0.411 . . . . 1.4 110.371 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -59.46 -45.83 90.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 3.34 110.672 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.8 ttm -71.82 -40.07 69.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.97 -0.559 . . . . 1.35 111.234 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.57 -44.8 73.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 1.17 111.636 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -66.99 -35.46 80.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 1.45 111.408 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.76 -3.45 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.937 0.398 . . . . 2.5 110.688 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.9 m120 62.82 37.83 12.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.752 -0.658 . . . . 2.34 112.0 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -108.46 26.9 9.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.261 0.553 . . . . 3.29 111.047 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 35' ' ' SER . 5.1 tt -81.97 112.07 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.845 -0.616 . . . . 0.81 110.006 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.646 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 41.1 m-80 -69.35 146.2 52.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.02 -0.537 . . . . 2.15 109.819 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -66.96 -31.19 71.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.741 0.305 . . . . 1.0 111.179 -178.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.7 -48.32 77.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.19 0.519 . . . . 1.24 110.815 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.646 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 2.0 p-10 -99.14 14.93 27.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.965 -0.561 . . . . 1.45 111.018 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 20.5 t -66.31 -22.96 66.3 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.806 -1.183 . . . . 1.07 107.806 171.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -74.49 138.82 43.44 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.796 -1.093 . . . . 0.9 109.276 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 69.27 4.81 4.78 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.937 -1.029 . . . . 2.37 111.5 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -104.49 24.89 10.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.845 0.355 . . . . 1.61 110.478 177.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.9 119.66 20.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.239 0.542 . . . . 1.04 111.237 -175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.672 HD13 HG13 ' A' ' 71' ' ' ILE . 8.7 mp -70.45 -20.92 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.467 -0.788 . . . . 1.62 109.993 174.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.852 ' HA ' ' HD2' ' A' ' 44' ' ' PHE . 12.6 mt -65.79 -29.62 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 114.638 -1.165 . . . . 1.81 112.327 -170.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.75 -31.65 72.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 2.45 110.757 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.569 ' HE1' ' CZ3' ' A' ' 21' ' ' TRP . 67.0 m-85 -71.59 -29.36 64.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 1.91 112.021 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.852 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 73.9 m-85 -58.01 -34.03 69.58 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.633 0.234 . . . . 2.0 111.633 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CE1' ' HG2' ' A' ' 146' ' ' LYS . 33.2 m170 -66.3 -46.45 76.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.683 -0.235 . . . . 1.33 111.059 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.35 -50.76 71.6 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.552 -0.536 . . . . 2.94 109.552 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.1 ttt 71.52 -14.89 0.46 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.301 -0.863 . . . . 1.99 112.356 172.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -58.73 -26.07 63.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.478 0.548 . . . . 3.73 112.478 -174.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD22 ' HG ' ' A' ' 15' ' ' LEU . 64.3 mt -89.45 -9.45 50.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.944 0.402 . . . . 2.19 111.36 -175.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD21 HG21 ' A' ' 64' ' ' THR . 97.1 mt -111.76 -30.76 7.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.467 0.651 . . . . 3.39 110.018 178.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 29.0 ttpp -83.03 137.72 34.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.354 -0.839 . . . . 3.18 109.898 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -119.3 99.1 6.49 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.184 -0.673 . . . . 2.55 109.184 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.85 -114.0 3.74 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.774 -0.727 . . . . 1.64 111.898 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -102.75 -11.67 18.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.763 0.316 . . . . 2.87 111.112 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.4 t -127.47 163.59 23.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.742 -0.466 . . . . 1.64 109.742 -175.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 7.1 p -113.12 132.59 61.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.385 0.612 . . . . 0.63 111.335 -174.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.436 ' HB2' ' HG2' ' A' ' 60' ' ' LYS . 12.3 m120 -70.31 101.73 1.98 Allowed 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.082 -0.963 . . . . 2.33 109.852 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.707 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 61.0 m-85 -62.89 -10.31 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.82 110.418 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -71.82 -58.71 3.23 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.286 -0.635 . . . . 1.65 109.286 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HG2' ' HB2' ' A' ' 57' ' ' ASN . 7.2 ptpp? -71.61 -27.64 63.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.834 -0.621 . . . . 2.25 110.321 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.707 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -65.98 -44.03 86.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.62 111.304 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.725 ' HB2' ' HG2' ' A' ' 174' ' ' ARG . 55.9 p -66.09 -39.52 90.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.884 0.373 . . . . 1.13 110.466 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.88 -45.06 94.34 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.014 -0.539 . . . . 0.99 110.766 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.51 HG21 HD21 ' A' ' 50' ' ' LEU . 17.3 p -75.18 -28.9 60.24 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.326 -0.397 . . . . 1.36 111.67 -178.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' CYS . 50.4 tp -68.38 -43.31 77.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.098 0.475 . . . . 1.52 109.92 176.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.58 -46.59 85.17 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.842 -0.617 . . . . 0.82 110.303 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.459 ' O ' HG12 ' A' ' 71' ' ' ILE . . . -62.09 -32.11 81.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.388 -0.823 . . . . 0.56 111.764 176.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.616 ' SG ' HG12 ' A' ' 41' ' ' ILE . 51.8 t -60.2 -41.99 94.15 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.519 0.327 . . . . 1.16 110.563 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.06 -40.13 82.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.103 0.478 . . . . 1.54 110.106 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -66.67 -50.77 61.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 2.91 111.111 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.672 HG13 HD13 ' A' ' 40' ' ' LEU . 49.4 mm -60.96 -38.99 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.011 0.434 . . . . 1.22 110.877 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.601 ' HE2' HD22 ' A' ' 189' ' ' LEU . 46.6 t80 -58.41 -56.04 27.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.86 110.312 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 p -70.96 -26.16 63.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.015 -0.539 . . . . 0.65 111.531 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.3 t -59.89 -40.22 87.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.075 0.464 . . . . 1.3 109.878 174.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.0 mtp180 -73.03 -33.51 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 1.69 110.39 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 72' ' ' TYR . 56.1 t -61.65 -46.44 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.081 0.467 . . . . 0.78 109.992 175.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.43 -39.11 78.9 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.732 -0.667 . . . . 1.87 110.373 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.8 m -61.99 -38.26 87.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.086 -0.506 . . . . 1.25 110.873 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 75' ' ' ARG . 27.3 t -62.1 -48.56 87.91 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 N-CA-C 110.098 -0.334 . . . . 1.4 110.098 176.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.12 75.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 1.45 110.888 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 m -69.25 -33.58 73.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.877 -0.602 . . . . 1.96 110.302 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 121.079 0.466 . . . . 2.42 109.853 176.771 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.624 0.25 . . . . 4.42 111.185 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -69.09 -34.77 75.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.022 0.439 . . . . 4.65 110.35 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -63.52 -39.21 93.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.929 -0.578 . . . . 3.16 110.423 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.37 -32.74 71.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.626 -0.715 . . . . 3.28 110.622 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.1 m -66.81 -31.97 72.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 1.58 110.837 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.463 ' HB3' HD21 ' A' ' 196' ' ' LEU . 4.5 mm? -65.45 -46.71 78.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.971 0.415 . . . . 1.83 110.308 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.47 -39.6 88.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.768 -0.651 . . . . 3.67 109.813 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -56.73 -50.59 71.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.648 -0.705 . . . . 1.73 111.204 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 69.7 mtm -62.9 -37.68 87.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.738 -0.21 . . . . 1.05 111.06 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 12.2 mmt -58.41 -50.26 74.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 1.44 110.629 174.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -57.58 -36.76 72.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.204 -0.453 . . . . 3.44 110.665 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.435 HG22 HH22 ' A' ' 75' ' ' ARG . 54.5 m -66.86 -52.82 38.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.639 -0.709 . . . . 1.16 111.627 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.632 HG13 HD12 ' A' ' 141' ' ' LEU . 10.8 p -66.3 -39.32 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 120.989 -0.284 . . . . 1.15 111.56 -175.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.632 HD12 HG13 ' A' ' 140' ' ' VAL . 7.5 mp -65.27 -27.49 68.68 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.08 -0.388 . . . . 1.45 111.379 174.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -67.77 -33.55 75.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 3.01 109.841 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . 0.513 ' HB3' HD12 ' A' ' 41' ' ' ILE . 7.6 m-20 -67.1 -31.39 71.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.031 -0.531 . . . . 1.64 110.432 175.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 141' ' ' LEU . 38.2 ttpt -58.74 -41.52 86.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.755 -0.461 . . . . 1.8 109.755 174.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.482 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 29.1 m170 -61.47 -39.26 90.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.705 -0.68 . . . . 0.84 110.656 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.53 ' HG2' ' CE1' ' A' ' 45' ' ' HIS . 87.0 mttt -59.75 -39.9 86.34 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.242 0.544 . . . . 2.66 110.117 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 143' ' ' ASP . 69.6 mt -61.82 -48.06 90.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.544 -0.753 . . . . 0.59 110.308 178.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 144' ' ' LYS . 63.1 mm-40 -53.33 -48.76 68.19 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.836 -0.62 . . . . 2.39 111.012 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 41.3 mt-10 -62.44 -46.59 87.86 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.62 -0.718 . . . . 2.47 111.143 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 24.3 m -64.23 -44.05 93.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.94 -0.573 . . . . 0.71 111.379 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.6 -46.37 90.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.602 0.239 . . . . 1.05 110.91 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.94 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.49 110.876 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.9 m -68.18 -49.57 60.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.54 110.693 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.13 -40.19 95.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.282 -0.417 . . . . 1.37 110.92 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.463 ' HA ' ' HE2' ' A' ' 171' ' ' PHE . 23.0 t70 -63.52 -29.58 70.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.961 -0.563 . . . . 0.78 110.772 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.89 -36.88 64.83 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.284 -0.416 . . . . 2.52 110.315 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -61.42 -46.11 91.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.636 -0.505 . . . . 0.92 109.636 172.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' ' 158' ' ' LYS . 11.9 ttpt -59.55 -36.86 77.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 1.93 110.855 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -64.28 -48.59 75.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.698 -0.683 . . . . 3.78 111.164 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -71.45 -28.7 64.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.681 0.277 . . . . 2.94 111.083 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -69.83 160.92 30.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.164 0.507 . . . . 1.97 111.052 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 15.8 m -76.91 133.97 39.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.752 -0.658 . . . . 3.67 110.505 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . 0.494 ' HA2' HG21 ' A' ' 168' ' ' THR . . . -69.42 -26.61 74.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.948 -0.644 . . . . 3.19 112.587 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -80.95 -3.46 90.61 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.98 -0.629 . . . . 2.95 112.61 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 64.8 m -81.8 149.82 28.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.646 0.26 . . . . 3.61 110.378 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -73.47 135.26 44.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.414 -0.357 . . . . 3.62 110.115 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 109.95 -38.87 3.11 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.845 -0.693 . . . . 1.32 111.64 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.494 HG21 ' HA2' ' A' ' 163' ' ' GLY . 5.1 m -59.18 -49.32 78.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.061 0.458 . . . . 1.5 110.967 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -72.0 -33.03 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.868 -0.605 . . . . 3.65 110.21 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 58.4 ttp -63.7 -44.35 93.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 1.37 110.259 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.463 ' HE2' ' HA ' ' A' ' 155' ' ' ASP . 84.0 t80 -68.41 -44.04 75.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.014 -0.539 . . . . 0.9 110.914 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.86 -45.74 85.88 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.276 0.56 . . . . 2.38 110.12 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.65 -43.72 92.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.158 -0.928 . . . . 2.29 111.24 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.725 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 16.3 tpp180 -67.5 -38.0 83.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 3.45 111.049 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 36.2 ttpt -61.58 -51.57 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.602 -0.272 . . . . 1.22 111.071 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.03 -36.61 80.0 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.132 -0.227 . . . . 1.35 111.13 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.0 -41.7 74.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.731 0.3 . . . . 2.03 110.538 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.53 95.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.91 110.721 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 87.0 mt -67.24 -35.35 79.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.085 0.469 . . . . 1.63 110.589 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.77 -52.32 57.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 3.14 110.607 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . 0.474 ' O ' ' HD3' ' A' ' 185' ' ' LYS . 13.2 t -71.16 -32.55 69.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.297 -0.41 . . . . 1.29 110.511 -178.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 26.6 ttt -60.6 -39.16 87.14 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.403 -0.221 . . . . 0.66 110.403 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . 0.53 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -62.93 -38.68 91.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.876 0.37 . . . . 0.71 110.838 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -67.67 -41.3 83.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 2.83 110.819 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 181' ' ' THR . 5.0 mptp? -69.81 -35.18 74.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 2.06 110.391 176.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 189' ' ' LEU . 10.3 t70 -62.07 -34.04 75.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 1.16 110.892 178.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 93.2 mt -59.13 -48.74 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 2.35 111.086 178.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 188' ' ' LYS . 0.2 OUTLIER -77.68 -30.17 51.81 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.019 -0.272 . . . . 2.76 110.809 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.601 HD22 ' HE2' ' A' ' 72' ' ' TYR . 8.0 tp -56.18 -61.8 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 1.24 110.746 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -67.67 -25.88 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 2.24 110.904 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -61.18 -44.45 97.28 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.719 -0.475 . . . . 2.86 109.719 174.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.9 -40.51 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 1.24 110.489 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 5.4 m -60.24 -44.28 95.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.86 0.362 . . . . 1.75 111.213 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -69.27 -47.39 64.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.364 . . . . 3.84 110.76 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.7 tp -56.51 -43.52 79.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.936 -0.575 . . . . 3.54 110.605 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 133' ' ' LEU . 49.6 tp . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.861 -0.609 . . . . 3.31 110.787 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo . . . . . 0 C--O 1.235 0.339 0 CA-C-O 120.768 0.237 . . . . 1.71 111.769 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mm -57.14 -38.58 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.948 -0.569 . . . . 2.27 111.51 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 16' ' ' ALA . 3.6 pp -58.68 -29.88 66.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.027 -0.533 . . . . 2.13 112.049 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -74.98 -28.59 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 1.02 111.238 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -70.7 -35.96 73.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.147 0.499 . . . . 2.23 110.045 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.455 ' O ' ' HG2' ' A' ' 22' ' ' MET . 37.2 t80 -76.23 -26.46 56.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.196 0.522 . . . . 1.52 110.171 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -67.14 -43.13 83.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 2.43 111.837 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.44 -32.72 74.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.066 0.46 . . . . 1.99 110.014 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -61.83 -39.06 90.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.703 -0.68 . . . . 1.14 110.659 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 29.0 mmt -66.85 -39.66 87.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 1.4 110.347 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.91 -36.9 85.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.157 0.503 . . . . 3.34 110.415 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.998 ' HG3' ' HG3' ' A' ' 29' ' ' LYS . 38.1 ttm -74.24 -38.81 63.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.12 -0.491 . . . . 1.35 110.918 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.79 79.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 1.17 112.2 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.3 p -59.69 -45.69 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.047 0.451 . . . . 1.45 111.403 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.43 -0.52 57.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.792 -0.64 . . . . 2.5 110.669 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 t30 55.88 39.46 30.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.166 -0.924 . . . . 2.34 111.111 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.998 ' HG3' ' HG3' ' A' ' 24' ' ' MET . 18.5 ptmt -91.56 20.74 5.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.047 -0.524 . . . . 3.29 110.44 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' A' ' 35' ' ' SER . 5.2 tt -80.18 114.74 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.604 -0.725 . . . . 0.81 110.084 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.418 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 45.0 m-80 -82.67 146.11 29.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.071 -0.513 . . . . 2.15 110.184 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.519 ' HA ' ' OG ' ' A' ' 35' ' ' SER . . . -62.51 -31.08 71.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.994 -173.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.31 75.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.899 0.38 . . . . 1.24 110.914 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 2.1 p-10 -111.42 13.56 21.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.41 -0.359 . . . . 1.45 111.662 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' HD11 ' A' ' 30' ' ' ILE . 69.5 m -63.96 -26.8 68.74 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.97 0.891 . . . . 1.07 108.745 171.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.45 ' O ' ' HB3' ' A' ' 37' ' ' ASN . 28.3 m95 -88.03 135.36 33.45 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.645 -1.161 . . . . 0.9 108.751 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 36' ' ' TRP . 28.7 t-20 80.23 0.25 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.768 1.293 . . . . 2.37 110.023 -171.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -105.17 23.39 13.73 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.867 -0.606 . . . . 1.61 109.733 172.369 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.23 119.44 14.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.246 -0.434 . . . . 1.04 111.128 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.641 HD13 HD13 ' A' ' 71' ' ' ILE . 7.2 mp -69.3 -25.24 64.13 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.875 -0.602 . . . . 1.62 110.926 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 44' ' ' PHE . 9.7 tp -59.62 -28.82 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 1.81 111.799 -174.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.1 -47.71 84.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.119 0.485 . . . . 2.45 110.157 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.431 ' HB3' HD21 ' A' ' 49' ' ' LEU . 86.8 m-85 -84.62 -30.67 24.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.524 -0.762 . . . . 1.91 111.303 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.467 ' HB3' ' HA ' ' A' ' 41' ' ' ILE . 21.9 t80 -59.81 -33.42 71.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.407 -0.36 . . . . 2.0 110.658 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -23.46 67.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 1.33 110.894 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 47' ' ' MET . 12.9 t70 -100.54 1.02 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.581 . . . . 2.94 109.582 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 63.6 mtt 73.07 176.28 0.27 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.243 -0.889 . . . . 1.99 111.541 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.5 m -52.36 130.33 30.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.678 -0.692 . . . . 3.73 111.072 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 43' ' ' TYR . 4.6 mm? -66.98 -18.85 65.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 2.19 111.313 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.01 23.6 4.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.37 -0.377 . . . . 3.39 110.836 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -70.18 169.43 13.63 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.65 -0.5 . . . . 3.18 109.65 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -105.1 96.93 6.87 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.902 0.382 . . . . 2.55 110.338 -176.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.74 -107.87 2.18 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.337 -0.705 . . . . 1.64 111.337 -175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -112.07 -2.8 14.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.431 -0.581 . . . . 2.87 109.431 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 t -88.89 149.66 23.24 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.585 -0.734 . . . . 1.64 109.129 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.55 131.36 71.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.577 0.703 . . . . 0.63 110.972 -173.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.694 ' HB2' ' HG2' ' A' ' 60' ' ' LYS . 6.3 m120 -80.41 113.85 18.88 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.948 -1.024 . . . . 2.33 108.381 177.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.5 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 47.4 m-85 -63.87 -11.26 26.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.417 -0.356 . . . . 0.82 111.076 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' HA ' ' HE1' ' A' ' 170' ' ' MET . 9.7 tt0 -72.54 -58.31 3.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.272 0.558 . . . . 1.65 110.014 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -68.89 -30.94 69.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.471 -0.786 . . . . 2.25 110.634 178.041 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' A' ' 154' ' ' LEU . . . -65.96 -38.08 87.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.62 110.203 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.0 t -57.68 -48.92 78.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.71 -0.677 . . . . 1.13 110.293 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.16 -40.64 96.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.99 110.838 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.2 m -63.03 -44.19 96.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 1.36 110.715 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.23 -50.45 73.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.016 0.436 . . . . 1.52 110.676 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.33 -40.39 86.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.642 . . . . 0.82 110.953 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.81 -35.67 90.0 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.849 -0.614 . . . . 0.56 112.518 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.4 m -62.52 -40.56 97.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.473 0.137 . . . . 1.16 110.892 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.31 -42.79 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 120.989 0.423 . . . . 1.54 110.628 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -60.91 -51.87 67.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.672 -0.694 . . . . 2.91 111.134 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.641 HD13 HD13 ' A' ' 40' ' ' LEU . 14.4 tt -72.39 -34.12 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.167 -0.469 . . . . 1.22 111.153 -176.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.466 ' HE1' ' O ' ' A' ' 140' ' ' VAL . 57.6 t80 -54.66 -53.31 56.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.953 0.406 . . . . 0.86 110.978 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.717 HG21 ' HB3' ' A' ' 185' ' ' LYS . 7.0 p -71.28 -28.83 64.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.086 -0.506 . . . . 0.65 111.378 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.9 m -70.4 -26.6 63.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.109 0.481 . . . . 1.3 110.461 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -72.57 -29.14 63.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.79 -0.448 . . . . 1.69 109.79 173.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.912 HG12 HG13 ' A' ' 192' ' ' ILE . 21.7 t -68.33 -40.24 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.613 0.72 . . . . 0.78 109.435 172.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.7 -36.85 72.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 1.87 109.829 171.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.9 m -69.89 -37.86 76.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.516 -0.765 . . . . 1.25 111.866 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 76' ' ' VAL . 13.9 p -63.93 -40.13 87.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 C-N-CA 120.41 -0.516 . . . . 1.4 110.553 -178.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB2' HG23 ' A' ' 192' ' ' ILE . . . -70.12 -31.71 69.38 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.558 -0.457 . . . . 1.45 111.265 176.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.4 m -59.8 -32.18 70.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.235 0.54 . . . . 1.96 110.094 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 2.42 110.423 178.464 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.826 0.346 . . . . 4.42 110.769 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.74 -41.91 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 4.65 111.728 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -25.88 68.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.527 -0.306 . . . . 3.16 111.343 -177.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 66.1 mtt -52.91 -46.12 67.89 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.923 -0.581 . . . . 3.28 111.442 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -72.95 -50.87 20.88 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.93 -0.308 . . . . 1.58 110.52 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 133' ' ' LEU . 4.1 mm? -59.75 -47.47 85.56 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.308 0.485 . . . . 1.83 112.308 -174.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -62.93 -50.28 71.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 3.67 110.418 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -54.69 -46.6 74.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.452 -0.794 . . . . 1.73 111.389 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.403 ' CE ' ' HA ' ' A' ' 79' ' ' VAL . 33.5 mtp -66.13 -45.07 82.35 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.773 0.286 . . . . 1.05 111.773 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.516 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 11.8 mmt -61.59 -48.08 82.57 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.119 0.485 . . . . 1.44 110.336 175.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.0 -43.92 91.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.686 -0.688 . . . . 3.44 110.862 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 90.7 m -58.77 -48.59 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 1.16 111.868 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.616 ' HA ' ' HB2' ' A' ' 143' ' ' ASP . 16.7 m -70.46 -32.02 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 120.68 -0.408 . . . . 1.15 111.656 -178.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 137' ' ' MET . 69.8 mt -65.98 -47.77 73.45 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.325 -0.55 . . . . 1.45 110.308 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 146' ' ' LYS . 75.4 mmtt -62.85 -29.02 70.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.32 0.581 . . . . 3.01 109.983 175.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 140' ' ' VAL . 0.2 OUTLIER -61.28 -47.43 86.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.217 -0.901 . . . . 1.64 110.052 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.07 -41.63 83.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.659 -0.7 . . . . 1.8 110.441 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -60.31 -40.03 89.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.968 -0.56 . . . . 0.84 110.768 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.41 ' HB2' HG12 ' A' ' 41' ' ' ILE . 61.8 mttp -70.74 -37.39 73.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 2.66 110.67 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.545 ' O ' HG13 ' A' ' 151' ' ' ILE . 80.2 mt -58.28 -52.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.239 -0.437 . . . . 0.59 110.262 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.2 -37.69 78.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.179 -0.464 . . . . 2.39 110.787 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.75 -47.16 87.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 2.47 110.519 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 18.6 m -68.92 -36.28 77.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.71 110.872 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 147' ' ' ILE . 79.3 mt -58.48 -51.08 75.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-O 120.67 0.271 . . . . 1.05 110.437 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.14 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.49 110.787 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.751 ' O ' ' HG2' ' A' ' 156' ' ' GLU . 99.1 m -65.54 -42.1 92.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.934 -0.576 . . . . 0.54 111.174 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.494 HD21 ' HB1' ' A' ' 61' ' ' ALA . 17.7 tp -72.8 -28.14 62.4 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 121.798 -0.564 . . . . 1.37 109.988 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 158' ' ' LYS . 13.1 t70 -67.6 -35.27 78.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.62 -0.718 . . . . 0.78 110.472 177.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.751 ' HG2' ' O ' ' A' ' 153' ' ' THR . 10.4 pt-20 -75.09 -25.9 58.89 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.768 0.318 . . . . 2.52 110.249 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.448 ' HD2' ' O ' ' A' ' 153' ' ' THR . 12.3 m-85 -66.65 -44.71 81.19 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.335 -0.617 . . . . 0.92 109.335 169.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.497 ' HD3' ' HD2' ' A' ' 171' ' ' PHE . 24.6 ttpp -56.83 -37.41 71.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.014 -0.994 . . . . 1.93 110.22 176.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -60.56 -46.27 90.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 3.78 110.983 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -57.6 -50.11 74.2 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.278 -0.419 . . . . 2.94 111.022 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -77.01 97.71 4.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.995 0.426 . . . . 1.97 110.715 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 20.3 m -95.66 164.98 12.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.292 -0.413 . . . . 3.67 111.046 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 69.95 -155.37 53.19 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.923 -0.581 . . . . 3.19 112.374 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -101.75 33.27 6.63 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.987 -0.625 . . . . 2.95 111.541 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.1 p -76.49 -25.6 54.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.789 0.328 . . . . 3.61 111.123 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -143.79 -172.47 3.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.099 -0.5 . . . . 3.62 110.099 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.81 41.28 2.35 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.086 -0.578 . . . . 1.32 112.273 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 27.1 m -57.01 -51.55 68.79 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.395 0.678 . . . . 1.5 111.994 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -73.15 -33.89 65.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.827 0.346 . . . . 3.65 110.494 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . 0.507 ' HE1' ' HA ' ' A' ' 59' ' ' GLN . 13.7 tmm? -65.63 -41.37 92.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 1.37 110.502 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.5 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 40.9 t80 -67.91 -35.48 78.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.9 110.584 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 176' ' ' GLU . 30.1 tt0 -66.39 -43.71 85.1 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.707 -0.479 . . . . 2.38 109.707 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 177' ' ' LYS . 56.1 m-20 -56.82 -42.91 80.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.758 -0.655 . . . . 2.29 109.865 173.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -62.91 -45.28 93.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.553 -0.749 . . . . 3.45 111.388 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -55.4 -47.0 76.55 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.112 0.257 . . . . 1.22 110.993 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 172' ' ' GLU . 28.5 mt-10 -52.9 -50.63 63.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.496 0.665 . . . . 1.35 110.387 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 173' ' ' ASP . 40.4 mmtm -67.95 -36.36 79.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.912 -1.04 . . . . 2.03 110.986 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -64.82 -51.31 62.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.366 -0.379 . . . . 0.91 110.763 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.81 -31.07 72.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 1.63 110.801 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 88.1 tttt -70.48 -51.18 30.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.513 . . . . 3.14 110.37 178.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 25.6 m -63.6 -34.47 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.101 0.477 . . . . 1.29 110.434 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.4 ttt -65.62 -34.29 77.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.66 110.239 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . 0.528 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -75.44 -30.0 59.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 0.71 110.532 177.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 180' ' ' LYS . 74.6 mmtt -69.18 -46.64 66.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 2.83 110.282 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.717 ' HB3' HG21 ' A' ' 73' ' ' THR . 74.9 mmtt -77.8 -11.0 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.137 -0.483 . . . . 2.06 110.727 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' ASP . . . . . 0.528 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 9.0 t70 -58.78 -34.15 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 1.16 111.573 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 184' ' ' LYS . 4.6 pp -62.93 -23.93 67.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.536 -0.302 . . . . 2.35 110.746 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 192' ' ' ILE . 26.1 mtpp -73.58 -38.04 65.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.439 -0.346 . . . . 2.76 110.67 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.824 ' HA ' HG11 ' A' ' 76' ' ' VAL . 59.6 tp -64.37 -44.44 91.36 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.162 0.506 . . . . 1.24 110.024 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.08 -28.52 62.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.24 110.781 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' GLU . . . . . 0.475 ' O ' HD13 ' A' ' 195' ' ' LEU . 41.5 tt0 -65.9 -47.86 73.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.541 -0.299 . . . . 2.86 110.227 174.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' ILE . . . . . 0.912 HG13 HG12 ' A' ' 76' ' ' VAL . 31.0 mm -59.49 -38.21 74.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 1.24 111.128 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 196' ' ' LEU . 27.5 p -75.73 -31.05 59.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 1.75 110.754 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.89 -35.93 82.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.413 0.625 . . . . 3.84 109.885 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 191' ' ' GLU . 7.7 mp -72.93 -32.87 65.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 3.54 110.087 174.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 193' ' ' THR . 31.4 tp . . . . . 0 N--CA 1.469 0.516 0 C-N-CA 123.517 0.727 . . . . 3.31 110.704 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.272 -0.331 . . . . 21.3 112.272 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -125.05 145.02 50.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.925 0.393 . . . . 20.91 110.812 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 50.0 tpp -81.09 -33.31 33.43 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.389 -0.597 . . . . 18.53 109.389 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -95.63 114.8 26.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.723 -0.671 . . . . 17.71 110.157 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -113.48 -178.42 3.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.835 -0.62 . . . . 14.57 110.231 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.13 153.08 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.491 -0.322 . . . . 12.18 110.503 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 p -64.67 149.05 96.35 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.075 -0.511 . . . . 9.93 111.472 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.33 26.11 0.56 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.127 2.552 . . . . 8.73 112.818 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -64.66 152.28 42.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.126 -0.488 . . . . 8.19 111.339 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 tptm 68.5 105.39 0.05 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.203 -0.908 . . . . 6.67 111.937 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.55 164.26 16.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.654 . . . . 6.27 110.177 176.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.85 109.74 34.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.515 -0.55 . . . . 3.08 109.515 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.5 140.02 85.01 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.736 2.291 . . . . 1.71 112.147 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.4 mm -59.56 -37.46 70.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 2.27 109.774 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.692 ' HA ' HD11 ' A' ' 49' ' ' LEU . 96.1 mt -58.33 -42.28 86.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.788 -0.642 . . . . 2.13 110.351 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.79 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.989 -0.551 . . . . 1.02 111.115 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -65.58 -34.33 77.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.302 0.572 . . . . 2.23 110.036 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.569 ' O ' ' HG2' ' A' ' 22' ' ' MET . 73.0 t80 -69.84 -40.32 75.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.87 -0.605 . . . . 1.52 109.991 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 54.4 mm-40 -61.5 -46.15 91.22 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.947 -0.569 . . . . 2.43 111.729 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' MET . 11.0 pt-20 -64.02 -40.77 97.08 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.043 -0.263 . . . . 1.99 110.482 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -60.32 -40.47 90.69 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.424 -0.353 . . . . 1.14 110.887 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 28.1 mmt -64.67 -46.06 84.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.101 -0.5 . . . . 1.4 110.19 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -59.39 -41.45 89.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 3.34 110.598 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.676 ' HA ' ' HB3' ' A' ' 29' ' ' LYS . 85.4 mmm -61.56 -50.15 73.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.778 -0.647 . . . . 1.35 110.669 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.16 62.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.575 0.583 . . . . 1.17 112.575 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -66.04 -40.33 90.9 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.379 0.511 . . . . 1.45 112.379 -172.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 5.62 47.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.112 -0.495 . . . . 2.5 111.719 -173.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 59.74 25.49 14.5 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.552 0.691 . . . . 2.34 109.774 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.676 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 87.1 tttt -75.81 -24.72 55.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.021 -0.991 . . . . 3.29 110.026 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.595 ' HB ' ' HB3' ' A' ' 24' ' ' MET . 10.7 tt -71.07 101.69 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.31 -0.859 . . . . 0.81 110.946 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -68.37 165.36 18.9 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.989 -0.551 . . . . 2.15 110.227 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.56 66.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.709 0.633 . . . . 1.0 112.709 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.06 -33.21 70.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.552 . . . . 1.24 111.19 -177.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -110.9 16.37 21.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.699 -0.682 . . . . 1.45 111.346 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.509 ' HA ' HD11 ' A' ' 30' ' ' ILE . 96.1 p -71.86 -12.08 61.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.344 -0.984 . . . . 1.07 108.344 172.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -85.55 159.41 19.9 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 114.121 -1.4 . . . . 0.9 109.72 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 69.06 0.71 2.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.193 -0.912 . . . . 2.37 110.834 -171.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -107.83 101.29 10.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.208 -0.451 . . . . 1.61 109.893 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.21 118.46 19.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.99 0.424 . . . . 1.04 110.399 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.22 -17.5 62.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.895 -0.593 . . . . 1.62 110.726 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.465 HD11 HG12 ' A' ' 147' ' ' ILE . 48.6 mm -57.4 -28.98 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.456 -0.793 . . . . 1.81 111.232 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.06 -46.17 68.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.05 0.452 . . . . 2.45 110.624 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -83.86 -30.34 26.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.697 -0.683 . . . . 1.91 110.712 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' HA ' HD21 ' A' ' 50' ' ' LEU . 1.4 t80 -72.16 -46.52 56.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.595 -0.729 . . . . 2.0 110.518 -172.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -53.27 27.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.0 -0.545 . . . . 1.33 110.549 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -96.33 96.51 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.94 109.521 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.708 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . 66.9 mtt -67.78 85.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.82 -0.627 . . . . 1.99 111.125 -176.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -109.9 -70.75 0.79 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.49 -0.777 . . . . 3.73 110.291 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.692 HD11 ' HA ' ' A' ' 15' ' ' LEU . 10.0 tt -66.73 -44.1 82.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.513 -0.767 . . . . 2.19 111.251 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 44' ' ' PHE . 2.2 pp -85.8 0.53 52.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.14 0.422 . . . . 3.39 112.14 -174.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 47' ' ' MET . 39.2 ttpt -104.5 125.09 50.35 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.84 -0.43 . . . . 3.18 109.84 177.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -99.69 91.21 4.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.126 0.489 . . . . 2.55 110.019 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.73 -132.52 11.2 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.639 -0.71 . . . . 1.64 111.996 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -89.64 -4.61 57.71 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.061 0.458 . . . . 2.87 110.949 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.0 p -134.45 160.1 39.03 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.166 -0.47 . . . . 1.64 109.936 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 50' ' ' LEU . 11.2 p -108.86 128.94 64.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 122.049 0.928 . . . . 0.63 109.983 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 59' ' ' GLN . 51.0 t-20 -71.88 121.61 19.34 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 106.686 -1.598 . . . . 2.33 106.686 172.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.751 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 30.4 m-85 -66.36 3.51 0.92 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.117 0.485 . . . . 0.82 110.872 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 57' ' ' ASN . 9.0 tt0 -72.43 -49.21 35.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.684 -1.228 . . . . 1.65 107.684 172.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 43.7 mmtm -60.38 -46.92 88.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.38 -1.282 . . . . 2.25 109.716 173.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -59.8 -47.46 85.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.379 -0.828 . . . . 0.62 111.659 -177.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.729 ' HB3' ' HG2' ' A' ' 174' ' ' ARG . 51.6 m -66.44 -46.21 77.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.732 0.301 . . . . 1.13 111.063 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.84 -45.23 90.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.99 110.948 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 m -71.28 -38.38 71.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 1.36 111.103 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.4 -46.16 84.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.729 0.3 . . . . 1.52 110.445 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.46 -50.74 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.82 110.679 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.62 -33.62 86.68 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.956 -0.565 . . . . 0.56 112.241 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.63 -44.73 95.54 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 110.367 -0.235 . . . . 1.16 110.367 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.518 HG21 ' HB1' ' A' ' 178' ' ' ALA . 86.6 t -60.86 -37.56 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.007 0.432 . . . . 1.54 110.412 177.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -64.16 -51.51 63.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.803 -0.635 . . . . 2.91 111.108 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.8 tt -72.7 -35.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.719 0.295 . . . . 1.22 111.275 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.499 ' OH ' ' HB2' ' A' ' 144' ' ' LYS . 68.4 t80 -58.48 -47.44 84.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.068 0.461 . . . . 0.86 110.799 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.412 HG21 ' HD2' ' A' ' 185' ' ' LYS . 25.0 p -75.71 -25.46 56.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.059 -0.519 . . . . 0.65 111.425 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.1 m -70.62 -36.86 73.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.878 0.37 . . . . 1.3 110.057 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -65.22 -46.88 78.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 1.69 111.669 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.918 HG21 ' HG ' ' A' ' 189' ' ' LEU . 12.7 p -62.38 -35.01 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.279 0.561 . . . . 0.78 109.995 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.5 -37.37 83.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 1.87 110.374 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.1 m -65.87 -31.12 71.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 1.25 111.262 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.517 HG11 ' SD ' ' A' ' 137' ' ' MET . 13.7 t -62.25 -50.22 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.491 -0.559 . . . . 1.4 109.491 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.99 78.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.7 -0.682 . . . . 1.45 110.741 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.3 m -61.37 -48.3 81.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.046 0.451 . . . . 1.96 110.593 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.76 -34.12 76.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 2.42 110.09 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.1 m -57.48 -41.68 81.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 3.15 110.172 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.04 -29.39 75.26 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.744 -0.662 . . . . 4.2 112.216 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -72.74 -32.65 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 4.88 110.214 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.498 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 98.5 mt -67.19 -44.02 80.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 5.71 109.995 175.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.45 -36.32 83.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.767 -0.652 . . . . 6.68 110.366 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -58.77 -47.95 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.694 . . . . 8.18 110.27 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.93 -34.16 89.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.078 -0.582 . . . . 8.78 112.383 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 93.6 mt -65.81 -56.05 13.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.73 0.3 . . . . 8.69 110.498 177.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.72 69.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.964 -0.562 . . . . 10.13 111.447 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -59.24 -38.45 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.041 -0.527 . . . . 12.11 111.121 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.4 m -90.97 4.71 51.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.178 -0.464 . . . . 11.17 111.02 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 90' ' ' LEU . 25.6 mmm180 -102.6 -0.62 31.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.391 -0.368 . . . . 11.37 110.788 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -83.5 136.76 34.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.95 0.405 . . . . 13.64 110.947 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t -135.57 16.38 3.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.696 -0.684 . . . . 13.75 109.535 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -80.48 -26.47 38.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.803 -0.635 . . . . 16.1 110.971 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -74.05 134.73 43.0 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.631 -0.507 . . . . 14.61 109.631 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -62.82 147.44 50.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.936 -0.394 . . . . 16.89 109.936 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.86 112.21 2.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.006 0.432 . . . . 14.47 110.677 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.6 mtp-105 -82.64 -41.3 19.61 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 109.221 -0.659 . . . . 17.73 109.221 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -131.03 129.57 42.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.969 -1.014 . . . . 14.83 109.72 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.55 -54.25 7.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.933 0.397 . . . . 16.07 110.538 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.83 -12.62 45.9 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.547 -0.835 . . . . 14.74 112.271 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.39 -78.43 1.32 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.724 -0.751 . . . . 15.53 111.757 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.65 -108.23 2.57 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.049 -0.596 . . . . 15.58 111.745 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.6 t -75.1 117.38 16.87 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.097 0.475 . . . . 15.74 109.86 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.48 179.29 40.47 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.83 -0.623 . . . . 16.77 112.809 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.22 17.16 69.96 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.789 -0.719 . . . . 17.08 112.224 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.6 m -78.81 111.28 14.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.964 -0.384 . . . . 17.9 109.964 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.0 mt -82.02 104.96 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.829 -0.623 . . . . 16.88 110.907 -175.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 112' ' ' ARG . 30.1 mtm180 -87.16 149.52 24.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.652 -0.704 . . . . 15.45 109.965 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -92.08 172.69 8.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.368 -0.378 . . . . 17.68 110.684 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -171.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.783 -0.644 . . . . 14.48 110.923 178.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 45.8 mt -58.83 101.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.083 0.468 . . . . 11.8 110.646 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -81.84 140.54 47.06 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.032 -0.531 . . . . 11.37 110.345 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.589 ' O ' ' HG2' ' A' ' 120' ' ' MET . 12.1 Cg_endo -55.14 -30.61 71.69 Favored 'Trans proline' 0 CA--C 1.527 0.163 0 C-N-CA 123.274 2.649 . . . . 10.68 112.988 -176.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -60.53 -20.79 61.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.866 0.321 . . . . 10.74 111.866 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.655 HG13 ' HD2' ' A' ' 212' ' ' ARG . 53.6 t -60.13 -46.17 94.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 8.53 110.881 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 117' ' ' PRO . 13.5 ptp -68.95 -32.88 72.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 8.74 110.504 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 43.9 m-80 -67.38 -24.04 65.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.652 -0.703 . . . . 7.33 111.471 -176.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 15.8 tpt -65.44 -37.85 88.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.238 0.542 . . . . 7.24 109.628 174.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.674 HD11 ' HG3' ' A' ' 212' ' ' ARG . 11.9 mt -70.83 -28.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.741 -0.663 . . . . 5.24 110.611 177.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' A' ' 121' ' ' ASN . 0.9 OUTLIER -52.53 -35.48 53.46 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.82 0.343 . . . . 4.69 111.163 175.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.6 m -67.7 -33.28 74.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.328 0.585 . . . . 4.02 110.398 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 130' ' ' GLU . 59.7 t -64.76 -40.97 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.503 -0.771 . . . . 3.81 110.029 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.493 ' HG2' HD11 ' A' ' 204' ' ' LEU . 41.9 mt-10 -56.7 -37.94 71.62 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.111 -0.495 . . . . 4.32 110.881 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -62.18 -39.07 91.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.825 -0.625 . . . . 4.42 110.646 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -67.23 -46.82 72.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.797 -0.638 . . . . 4.65 110.166 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.826 ' HG3' HD12 ' A' ' 204' ' ' LEU . 6.2 mm-40 -55.87 -50.23 71.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.659 -0.7 . . . . 3.16 110.512 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 67.1 mtt -61.78 -37.99 86.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.398 -0.819 . . . . 3.28 111.156 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 m -67.94 -34.57 76.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.673 -0.24 . . . . 1.58 110.773 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.429 HD21 HD11 ' A' ' 86' ' ' LEU . 4.1 mm? -68.03 -41.51 81.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.858 0.361 . . . . 1.83 110.496 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -61.37 -49.16 78.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.511 . . . . 3.67 110.047 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -61.97 -31.89 72.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.378 -0.828 . . . . 1.73 110.92 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 39.3 tpp -61.13 -53.21 59.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.188 -0.46 . . . . 1.05 110.072 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.517 ' SD ' HG11 ' A' ' 79' ' ' VAL . 87.1 mmm -65.58 -36.13 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.731 -0.668 . . . . 1.44 110.538 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.66 -39.64 81.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 3.44 110.199 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 68.6 m -65.83 -44.39 85.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.06 -0.518 . . . . 1.16 110.533 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.466 HG11 ' HB ' ' A' ' 76' ' ' VAL . 73.3 t -59.85 -46.25 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.017 0.437 . . . . 1.15 110.786 178.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 137' ' ' MET . 81.1 mt -65.65 -34.99 79.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 1.45 110.605 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.644 ' HG2' ' HE2' ' A' ' 146' ' ' LYS . 38.7 ttmt -61.3 -44.28 97.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.698 -0.683 . . . . 3.01 110.341 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.549 ' O ' HG13 ' A' ' 147' ' ' ILE . 1.1 m-20 -58.57 -41.17 85.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.127 -0.488 . . . . 1.64 110.537 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.499 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 37.4 ttpt -56.13 -47.76 77.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 1.8 111.317 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.464 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 37.7 m80 -61.88 -37.95 86.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.138 0.494 . . . . 0.84 110.083 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.644 ' HE2' ' HG2' ' A' ' 142' ' ' LYS . 68.0 mttm -67.08 -37.4 83.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.695 -0.684 . . . . 2.66 111.176 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 143' ' ' ASP . 72.5 mt -59.98 -48.01 89.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.768 -0.456 . . . . 0.59 109.768 175.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.41 -44.96 85.02 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.47 -0.786 . . . . 2.39 111.056 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 46.4 mt-10 -60.32 -44.91 95.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.105 0.479 . . . . 2.47 110.887 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.5 m -70.51 -43.45 69.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.901 -0.59 . . . . 0.71 112.095 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 34.5 pt -63.28 -33.48 61.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.682 -0.407 . . . . 1.05 110.201 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.05 95.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.335 -0.393 . . . . 0.49 110.602 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 37.3 m -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.057 0.456 . . . . 0.54 110.684 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.402 HD13 ' HB1' ' A' ' 61' ' ' ALA . 70.7 mt -64.56 -33.28 75.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.028 -0.533 . . . . 1.37 110.726 177.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.89 -31.81 71.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.966 -0.561 . . . . 0.78 109.927 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.13 -43.84 90.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.955 -0.566 . . . . 2.52 110.219 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -59.34 -40.78 87.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.92 110.368 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.526 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 27.6 ttpp -70.29 -20.59 63.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.922 -0.581 . . . . 1.93 110.891 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -84.85 -38.71 19.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.976 0.417 . . . . 3.78 110.257 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.19 -42.6 55.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.074 -0.512 . . . . 2.94 111.16 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -80.95 134.17 35.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.908 0.385 . . . . 1.97 110.938 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 37.5 m -81.27 -27.39 35.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.066 -0.516 . . . . 3.67 110.705 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 128.16 43.1 0.24 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.685 -0.769 . . . . 3.19 112.101 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -78.05 -86.09 0.48 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.779 -0.724 . . . . 2.95 111.937 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 50.2 m -94.3 -27.85 15.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.978 0.418 . . . . 3.61 110.865 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.428 ' HB1' ' CD2' ' A' ' 58' ' ' PHE . . . -81.62 127.19 32.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.138 -0.483 . . . . 3.62 110.209 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -78.26 75.25 1.95 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.062 -0.59 . . . . 1.32 112.011 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.526 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 24.5 p -59.05 -44.39 91.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.967 0.413 . . . . 1.5 111.342 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -68.03 -41.28 82.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.942 -0.572 . . . . 3.65 110.573 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 60.9 ttp -63.22 -44.75 94.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 1.37 110.573 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.751 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 83.1 t80 -67.04 -34.67 78.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.9 111.158 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -54.55 -56.08 22.67 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.293 0.568 . . . . 2.38 110.176 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 177' ' ' LYS . 19.4 t70 -67.62 -31.71 71.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 2.29 111.277 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.729 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 4.7 tpt180 -74.54 -39.56 62.25 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.956 -0.298 . . . . 3.45 110.867 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 22.2 ttmt -59.55 -55.58 32.75 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.861 0.362 . . . . 1.22 110.091 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.56 -33.6 74.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.809 -0.632 . . . . 1.35 110.933 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 173' ' ' ASP . 0.1 OUTLIER -66.26 -45.22 81.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 2.03 109.952 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.518 ' HB1' HG21 ' A' ' 69' ' ' VAL . . . -68.77 -39.71 80.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.832 -0.622 . . . . 0.91 110.769 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 80.5 mt -67.18 -28.26 67.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 1.63 111.115 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -69.28 -43.72 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.757 -0.46 . . . . 3.14 109.757 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 32.2 m -65.54 -36.87 85.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.24 0.543 . . . . 1.29 110.134 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 25.2 ttt -63.99 -40.9 97.43 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.63 -0.714 . . . . 0.66 110.315 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -69.32 -35.27 75.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.71 111.116 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -58.27 -55.93 28.58 Favored 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 123.293 0.637 . . . . 2.83 111.025 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.412 ' HD2' HG21 ' A' ' 73' ' ' THR . 90.0 mttt -77.36 -11.03 59.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.049 -0.523 . . . . 2.06 111.236 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 18.2 t70 -61.25 -33.71 73.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.25 -0.432 . . . . 1.16 110.334 177.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.37 -37.82 87.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.79 -0.641 . . . . 2.35 110.242 176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 192' ' ' ILE . 84.8 tttt -73.67 -42.32 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 2.76 110.171 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.918 ' HG ' HG21 ' A' ' 76' ' ' VAL . 9.5 tt -61.54 -51.16 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.957 -0.565 . . . . 1.24 110.856 -178.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.18 -34.68 78.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.016 -0.273 . . . . 2.24 110.614 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . 0.517 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 7.3 tp10 -60.22 -51.7 68.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 2.86 110.219 177.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 188' ' ' LYS . 85.1 mt -56.32 -45.56 81.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.149 -0.478 . . . . 1.24 110.58 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 11.0 m -57.17 -47.75 80.44 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.05 -0.523 . . . . 1.75 110.943 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -67.44 -46.26 73.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.792 -0.64 . . . . 3.84 110.725 -176.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 83.2 mt -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.804 0.335 . . . . 3.54 110.739 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.537 ' HA ' HD13 ' A' ' 200' ' ' ILE . 15.9 tp -57.26 -46.09 83.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.475 0.655 . . . . 3.31 109.934 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -78.08 -26.71 48.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.565 -0.743 . . . . 6.05 110.577 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' A' ' 195' ' ' LEU . 14.6 t70 -75.79 -51.54 12.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.369 -0.832 . . . . 4.3 112.26 -176.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.404 ' C ' ' HD2' ' A' ' 202' ' ' PRO . 43.0 tt0 -117.94 -35.88 3.77 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.025 0.38 . . . . 5.29 112.025 -172.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' A' ' 196' ' ' LEU . 2.0 mp -69.62 -40.43 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 111.801 0.297 . . . . 3.27 111.801 -174.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.505 ' HB2' ' HD3' ' A' ' 202' ' ' PRO . 31.0 mt-10 -68.68 -49.08 30.18 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 120.411 -0.516 . . . . 6.5 112.015 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' ' 201' ' ' GLU . 39.6 Cg_exo -60.69 -16.34 42.9 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.088 1.859 . . . . 6.81 112.812 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 200' ' ' ILE . 1.7 tmmm? -52.69 -39.39 61.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.252 -0.431 . . . . 6.75 110.447 177.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.826 HD12 ' HG3' ' A' ' 130' ' ' GLU . 5.2 tt -67.59 -41.28 84.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.307 -0.406 . . . . 6.12 110.216 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.76 -43.05 94.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.086 -0.506 . . . . 9.31 110.901 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -71.74 -30.72 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.439 -0.346 . . . . 10.45 110.592 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.04 -47.36 85.49 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.254 0.55 . . . . 7.6 109.684 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -59.81 -44.26 94.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.067 -0.97 . . . . 9.48 110.226 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 55.8 tp60 -69.24 -49.77 53.26 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.195 0.443 . . . . 12.83 112.195 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.3 -54.73 15.47 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.039 0.385 . . . . 10.85 112.039 -175.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' LYS . . . . . 0.617 ' HD2' HD12 ' A' ' 215' ' ' LEU . 22.6 tptm -78.55 -57.08 3.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.907 0.384 . . . . 10.09 111.36 -173.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.674 ' HG3' HD11 ' A' ' 123' ' ' ILE . 27.1 mmt180 -83.24 -56.25 3.88 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.798 0.666 . . . . 12.5 112.798 -170.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 217' ' ' PHE . . . -59.41 -45.77 90.57 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.004 0.372 . . . . 13.01 112.004 -174.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -74.44 -54.21 8.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.373 -0.376 . . . . 13.47 111.522 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.617 HD12 ' HD2' ' A' ' 211' ' ' LYS . 94.6 mt -79.02 -60.64 2.3 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.392 0.516 . . . . 11.97 112.392 -173.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -78.79 -47.89 15.86 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.507 0.558 . . . . 12.73 112.507 -172.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . 0.498 ' HB3' ' O ' ' A' ' 213' ' ' ALA . 38.2 t80 -66.94 -53.91 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 13.81 111.247 -174.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . 0.478 HE21 ' HD1' ' A' ' 217' ' ' PHE . 27.3 mm-40 -82.98 138.67 33.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.808 0.337 . . . . 15.46 111.09 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -70.08 160.53 31.86 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.605 -0.517 . . . . 15.41 109.605 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 50.6 p 50.83 85.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.774 0.671 . . . . 17.57 111.337 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.856 -0.592 . . . . 17.45 111.007 -176.833 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.098 -0.401 . . . . 21.3 112.098 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.1 m80 67.28 -81.82 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.197 0.599 . . . . 20.91 111.218 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 46.7 tpp -159.66 117.64 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.505 . . . . 18.53 109.956 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -122.97 160.89 25.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.411 -0.359 . . . . 17.71 110.678 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.65 118.16 7.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.309 -0.405 . . . . 14.57 110.697 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.84 139.23 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.097 -0.501 . . . . 12.18 110.535 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.446 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 7.4 p -61.4 130.81 92.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.096 -0.502 . . . . 9.93 111.257 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 7' ' ' THR . 4.1 Cg_exo -77.22 -8.84 17.64 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.193 2.596 . . . . 8.73 112.262 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.0 mmt -74.42 129.71 38.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.781 -0.645 . . . . 8.19 109.415 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 33.8 mmtp -81.94 -1.62 48.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.642 0.734 . . . . 6.67 110.754 -176.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -105.44 121.24 43.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.722 -1.126 . . . . 6.27 108.306 171.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -73.54 117.25 59.07 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-O 121.115 0.483 . . . . 3.08 110.969 -175.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.85 137.88 42.95 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.567 2.178 . . . . 1.71 111.499 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.581 HG13 HD21 ' A' ' 49' ' ' LEU . 34.9 pt -68.49 -16.94 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.563 -0.289 . . . . 2.27 111.31 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -61.03 -44.76 96.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.917 0.389 . . . . 2.13 110.234 170.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . . . -74.84 -29.59 61.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.74 -0.663 . . . . 1.02 110.435 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 31.1 t30 -66.6 -43.33 85.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.707 -0.679 . . . . 2.23 110.0 174.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -71.69 -42.1 67.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 1.52 111.434 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.667 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 11.4 pt-20 -64.72 -32.45 74.14 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.903 -0.319 . . . . 2.43 110.173 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 24' ' ' MET . 7.0 tp10 -61.94 -46.39 89.51 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.332 -0.618 . . . . 1.99 109.332 175.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 39.3 m0 -59.91 -47.08 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.723 -0.671 . . . . 1.14 111.002 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.525 ' HA ' ' HE2' ' A' ' 22' ' ' MET . 29.6 mmt -59.59 -41.9 91.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 1.4 110.804 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -66.38 -50.64 62.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 3.34 110.524 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.569 ' HB2' ' HZ ' ' A' ' 38' ' ' PHE . 79.2 mtp -63.04 -34.97 78.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 1.35 111.597 -178.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.4 -49.94 61.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.75 0.31 . . . . 1.17 111.156 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 p -71.42 -36.36 71.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.332 -0.394 . . . . 1.45 111.856 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.91 -5.54 57.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.945 0.403 . . . . 2.5 110.841 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 63.55 25.45 14.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.627 0.727 . . . . 2.34 110.414 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 24.3 tptm -74.62 -20.52 59.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.935 -1.029 . . . . 3.29 109.423 176.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 tt -65.64 92.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.739 0.78 . . . . 0.81 110.771 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -75.48 168.36 20.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 2.15 110.294 174.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.09 76.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.623 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.48 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.792 0.293 . . . . 1.24 111.792 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.515 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -104.68 14.22 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.155 0.428 . . . . 1.45 112.155 -178.458 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.0 p -65.98 -27.31 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.134 -1.061 . . . . 1.07 108.134 170.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -75.28 140.56 43.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.738 -1.119 . . . . 0.9 109.261 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 68.25 11.82 8.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.068 -0.969 . . . . 2.37 111.164 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' HZ ' ' HB2' ' A' ' 24' ' ' MET . 1.8 t80 -91.82 7.2 42.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.135 0.493 . . . . 1.61 110.167 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.21 122.03 20.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.357 0.599 . . . . 1.04 112.336 -172.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.55 -17.02 62.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.355 -0.839 . . . . 1.62 110.514 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.711 HD11 ' HA ' ' A' ' 147' ' ' ILE . 7.3 tp -57.13 -30.19 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 115.569 -0.741 . . . . 1.81 112.311 -172.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.92 -35.5 81.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.56 0.695 . . . . 2.45 110.092 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -83.18 -27.94 29.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.03 -0.986 . . . . 1.91 110.485 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' HD2' HD12 ' A' ' 41' ' ' ILE . 19.5 m-30 -63.0 -34.55 77.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 2.0 110.737 173.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -75.79 -57.15 4.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 1.33 110.735 175.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -84.61 85.26 7.44 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.184 -0.673 . . . . 2.94 109.184 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.53 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 63.1 mtt -71.29 83.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.807 -0.633 . . . . 1.99 111.88 -171.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -110.6 -44.14 3.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.668 -0.696 . . . . 3.73 109.293 172.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.581 HD21 HG13 ' A' ' 14' ' ' ILE . 89.7 mt -90.15 -33.03 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 2.19 111.2 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 56' ' ' VAL . 53.2 tp -76.34 -36.15 58.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.314 0.578 . . . . 3.39 110.398 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CB ' ' HB3' ' A' ' 47' ' ' MET . 27.2 ttpp -97.92 123.7 42.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 3.18 110.164 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.02 96.9 8.8 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.842 -0.799 . . . . 2.55 108.842 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.0 -115.47 4.37 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.937 -0.649 . . . . 1.64 111.629 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -118.32 10.34 12.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.879 0.371 . . . . 2.87 110.864 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.1 t -138.55 144.86 40.07 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.882 -0.784 . . . . 1.64 108.882 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 50' ' ' LEU . 14.4 p -95.91 131.19 43.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.719 0.771 . . . . 0.63 110.487 -178.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' HB2' ' HE3' ' A' ' 60' ' ' LYS . 12.0 m120 -84.15 106.26 15.65 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.752 -1.113 . . . . 2.33 108.603 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.638 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 94.3 m-85 -66.4 -7.31 18.45 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.827 -0.624 . . . . 0.82 111.163 -174.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.26 -57.34 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.089 -0.708 . . . . 1.65 109.089 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.526 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 18.5 ptpt -65.43 -30.65 71.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.4 -0.818 . . . . 2.25 109.954 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -62.15 -40.18 95.1 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.237 -0.438 . . . . 0.62 110.593 175.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m -62.16 -44.41 96.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.13 110.759 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.63 -46.13 70.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.985 -0.552 . . . . 0.99 110.937 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.8 p -68.33 -36.83 79.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.133 -0.485 . . . . 1.36 111.617 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -47.27 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.793 -0.447 . . . . 1.52 109.793 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.87 -40.06 91.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.031 0.444 . . . . 0.82 110.952 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.29 -45.35 80.81 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.481 -0.866 . . . . 0.56 111.916 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.425 ' HA ' HG12 ' A' ' 71' ' ' ILE . 33.0 t -64.94 -38.43 90.93 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.305 0.113 . . . . 1.16 111.305 -177.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.19 -36.31 72.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 120.701 -0.399 . . . . 1.54 110.786 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -68.11 -46.17 71.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.754 0.311 . . . . 2.91 110.665 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 42.9 pt -70.99 -32.98 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.958 -0.297 . . . . 1.22 110.952 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.586 ' HA ' ' HD3' ' A' ' 75' ' ' ARG . 74.6 t80 -57.63 -49.8 75.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.153 0.501 . . . . 0.86 110.289 175.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.9 p -70.46 -25.61 63.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.929 -0.578 . . . . 0.65 110.684 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.1 t -67.53 -26.97 66.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.106 0.479 . . . . 1.3 109.921 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HD3' ' HA ' ' A' ' 72' ' ' TYR . 65.5 mtp180 -73.32 -32.72 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.55 -0.537 . . . . 1.69 109.55 174.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.654 HG12 HD12 ' A' ' 192' ' ' ILE . 62.3 t -66.96 -37.23 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.911 -0.586 . . . . 0.78 109.579 172.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.26 -31.95 73.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.16 -0.473 . . . . 1.87 110.188 171.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -67.19 -46.44 73.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.606 . . . . 1.25 111.088 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG21 ' HG2' ' A' ' 137' ' ' MET . 7.3 p -64.85 -33.91 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.596 -0.442 . . . . 1.4 110.43 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' HA ' ' OG1' ' A' ' 83' ' ' THR . . . -70.16 -30.56 67.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.137 0.494 . . . . 1.45 110.621 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.456 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 88.6 m -65.45 -37.31 86.5 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.417 -0.586 . . . . 1.96 109.417 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.82 -43.09 76.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.674 -0.693 . . . . 2.42 110.676 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.881 HG22 HD11 ' A' ' 133' ' ' LEU . 63.7 p -66.22 -38.37 87.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.493 -0.321 . . . . 3.15 110.662 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.79 -34.06 80.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.222 -0.514 . . . . 4.2 112.641 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 81' ' ' THR . 94.9 mttt -65.39 -49.99 67.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.594 0.235 . . . . 4.88 110.928 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 87' ' ' LEU . 4.0 pp -73.63 -30.8 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.001 0.429 . . . . 5.71 110.366 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 86' ' ' LEU . 64.7 tp -57.51 -51.98 67.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.653 -0.703 . . . . 6.68 109.788 176.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -69.65 -35.11 74.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.635 -0.711 . . . . 8.18 110.746 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.11 -48.61 78.51 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.107 -0.568 . . . . 8.78 112.714 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 90' ' ' LEU . 3.9 mm? -76.61 -20.53 56.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 8.69 110.987 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.81 -32.12 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 10.13 110.45 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.48 -59.31 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 12.11 110.528 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 m -104.15 84.08 2.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.979 -0.555 . . . . 11.17 110.382 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -108.45 -38.1 5.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.865 -0.607 . . . . 11.37 110.404 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -89.28 -33.92 16.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.407 -0.361 . . . . 13.64 110.37 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.3 t 58.17 89.93 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 O-C-N 123.722 0.639 . . . . 13.75 111.206 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -77.85 -43.35 30.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.09 -0.505 . . . . 16.1 110.191 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -92.82 148.71 21.81 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.332 -0.618 . . . . 14.61 109.332 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.79 ' HA ' ' HE2' ' A' ' 214' ' ' PHE . 21.6 ptmt -81.06 140.36 35.16 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.61 -0.436 . . . . 16.89 110.275 177.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -70.27 144.42 51.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.298 -0.63 . . . . 14.47 109.298 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.59 92.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.382 0.611 . . . . 17.73 111.355 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.88 121.49 15.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.986 -1.007 . . . . 14.83 111.686 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.07 -45.25 91.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 16.07 110.805 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 142.21 88.92 0.12 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.579 -0.82 . . . . 14.74 112.185 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.56 -42.44 97.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.206 -0.521 . . . . 15.53 111.855 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.38 28.66 2.3 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.967 -0.635 . . . . 15.58 112.348 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -129.88 140.08 51.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.886 0.374 . . . . 15.74 110.598 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -121.31 51.5 0.78 Allowed Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.542 -0.623 . . . . 16.77 111.542 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 126.69 106.81 1.47 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.323 -0.711 . . . . 17.08 111.323 -176.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.2 t -93.89 26.11 3.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.3 0.572 . . . . 17.9 110.556 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.43 -56.32 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 16.88 110.207 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -110.15 -25.24 10.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.266 -0.424 . . . . 15.45 110.074 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -78.27 100.04 6.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 17.68 110.073 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 153.4 38.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.227 -0.442 . . . . 14.48 110.203 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.592 HG21 ' HD3' ' A' ' 212' ' ' ARG . 48.2 mm -64.52 122.19 14.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.323 -0.399 . . . . 11.8 110.555 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.462 HD22 ' N ' ' A' ' 116' ' ' ASN . 0.9 OUTLIER -78.11 149.72 76.74 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.88 -0.6 . . . . 11.37 110.087 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -58.11 -23.36 60.75 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.723 2.282 . . . . 10.68 111.796 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -53.13 -41.3 64.93 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.709 -0.678 . . . . 10.74 110.972 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.5 -25.89 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.122 0.487 . . . . 8.53 110.707 -177.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 23.5 mmt -70.15 -15.0 62.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.075 0.464 . . . . 8.74 110.586 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -70.6 -22.46 62.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.077 -0.511 . . . . 7.33 110.387 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 24.6 ttt -70.14 -36.38 74.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.614 -0.513 . . . . 7.24 109.614 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 126' ' ' VAL . 36.3 mm -60.16 -28.24 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 115.436 -0.802 . . . . 5.24 110.604 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 19.9 t70 -48.88 -29.99 5.32 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.667 -0.697 . . . . 4.69 112.227 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.7 p -54.48 -46.56 73.42 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.558 -0.292 . . . . 4.02 111.759 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.616 HG21 HD23 ' A' ' 207' ' ' LEU . 23.1 m -73.3 -32.7 38.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.764 0.316 . . . . 3.81 110.829 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.643 ' HG2' HD11 ' A' ' 204' ' ' LEU . 40.4 mt-10 -64.65 -32.4 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 4.32 110.501 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 124' ' ' ASP . 59.5 mtpt -58.78 -33.29 70.14 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.168 -0.469 . . . . 4.42 110.562 175.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.61 -44.87 73.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.529 . . . . 4.65 110.156 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 32.1 tt0 -64.36 -39.14 93.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 3.16 110.538 178.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 127' ' ' GLU . 65.5 mtt -60.48 -43.37 97.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.411 . . . . 3.28 110.932 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.2 t -61.52 -42.98 99.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.468 -0.567 . . . . 1.58 109.468 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.881 HD11 HG22 ' A' ' 83' ' ' THR . 1.6 tt -59.52 -43.54 93.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.564 -0.744 . . . . 1.83 109.896 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 66.7 mttm -56.69 -43.56 80.64 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 115.898 -0.592 . . . . 3.67 110.167 175.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -63.98 -45.48 88.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 1.73 110.909 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.62 ' HE2' ' HA ' ' A' ' 133' ' ' LEU . 0.9 OUTLIER -58.07 -49.9 75.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 1.05 110.777 177.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.49 ' HE3' ' HA ' ' A' ' 193' ' ' THR . 85.9 mtp -66.25 -39.28 89.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 1.44 111.39 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -58.21 -42.6 86.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 3.44 109.836 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 43.5 m -64.14 -38.08 89.78 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.356 -0.838 . . . . 1.16 110.971 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 136' ' ' MET . 71.8 t -55.61 -51.91 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 121.231 0.539 . . . . 1.15 110.866 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 64.8 mt -75.28 -26.81 59.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.087 -0.506 . . . . 1.45 111.504 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 146' ' ' LYS . 85.4 tttt -67.82 -41.69 82.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.319 -0.623 . . . . 3.01 109.319 174.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.444 ' HB3' ' HE1' ' A' ' 72' ' ' TYR . 11.6 t70 -62.27 -38.05 87.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.228 -0.897 . . . . 1.64 109.833 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.533 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 61.1 tttp -55.15 -45.79 75.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.503 -0.771 . . . . 1.8 110.844 177.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -63.48 -34.05 76.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.84 110.504 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 142' ' ' LYS . 5.4 mptp? -66.29 -37.67 85.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 2.66 110.352 175.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.711 ' HA ' HD11 ' A' ' 41' ' ' ILE . 63.1 mt -63.85 -50.57 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.59 110.173 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.4 -46.53 69.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.836 -0.62 . . . . 2.39 110.254 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.13 -47.04 78.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.268 -0.878 . . . . 2.47 110.978 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 73.8 m -64.0 -38.89 92.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.71 111.504 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 147' ' ' ILE . 77.9 mt -56.41 -51.4 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 1.05 110.645 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.73 -30.03 69.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 0.49 111.476 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 49.5 m -73.74 -46.49 45.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.423 -0.353 . . . . 0.54 111.234 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.85 -32.11 73.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 1.37 110.572 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.654 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 13.5 t70 -65.29 -35.86 82.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.78 109.915 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.467 ' OE2' ' HD2' ' A' ' 159' ' ' ARG . 4.7 mm-40 -59.56 -46.91 87.53 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.318 -0.401 . . . . 2.52 110.962 174.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -58.38 -36.95 74.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.988 0.423 . . . . 0.92 110.456 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.574 ' HA ' HG22 ' A' ' 168' ' ' THR . 47.1 tttm -66.02 -41.08 91.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.661 -0.699 . . . . 1.93 110.793 177.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.654 ' HG3' ' O ' ' A' ' 155' ' ' ASP . 95.1 mtt180 -63.4 -49.73 72.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.959 -0.564 . . . . 3.78 111.08 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -71.36 -44.58 64.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.03 -0.532 . . . . 2.94 110.69 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . 61.39 162.07 0.07 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.676 0.75 . . . . 1.97 112.523 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 15.0 m -125.09 83.2 2.13 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.898 -0.592 . . . . 3.67 109.476 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 62.94 -133.52 43.48 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.465 -0.654 . . . . 3.19 111.465 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -86.42 75.69 2.21 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.185 -0.766 . . . . 2.95 111.185 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 15.8 m -74.55 -35.71 63.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.397 0.141 . . . . 3.61 110.873 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . 71.62 -50.29 0.69 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.68 0.792 . . . . 3.62 112.238 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.83 -13.36 46.66 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.46 -0.336 . . . . 1.32 112.887 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.574 HG22 ' HA ' ' A' ' 158' ' ' LYS . 8.0 p -61.22 -42.33 98.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.969 0.414 . . . . 1.5 110.722 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.568 . . . . 3.65 109.872 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . 0.434 ' HE2' ' HB3' ' A' ' 170' ' ' MET . 43.3 ttp -61.02 -37.86 84.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.725 -0.671 . . . . 1.37 111.045 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.481 ' HD2' ' HD2' ' A' ' 158' ' ' LYS . 84.2 t80 -61.15 -31.43 71.16 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.9 111.097 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.553 ' HB2' ' HE3' ' A' ' 158' ' ' LYS . 9.4 tp10 -62.01 -49.32 76.51 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.88 -0.415 . . . . 2.38 109.88 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.535 ' O ' ' HB2' ' A' ' 177' ' ' LYS . 42.4 m-20 -71.85 -34.15 69.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.871 -0.604 . . . . 2.29 111.196 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -69.94 -43.21 72.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.593 -0.276 . . . . 3.45 110.778 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.431 ' O ' HD13 ' A' ' 179' ' ' LEU . 35.0 ttpt -57.33 -55.22 37.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.021 -0.536 . . . . 1.22 110.482 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.474 ' HB2' ' HE2' ' A' ' 180' ' ' LYS . 10.0 pt-20 -62.43 -39.27 92.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.94 -0.304 . . . . 1.35 110.793 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 173' ' ' ASP . 6.7 tppt? -60.39 -50.42 73.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.003 0.43 . . . . 2.03 110.165 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -67.8 -42.86 80.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.837 -0.619 . . . . 0.91 111.247 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 175' ' ' LYS . 8.5 mp -65.64 -45.95 81.07 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.051 0.389 . . . . 1.63 112.051 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' A' ' 176' ' ' GLU . 68.2 mttm -67.58 -34.43 77.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.678 0.275 . . . . 3.14 110.963 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.4 m -74.29 -37.05 63.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.132 0.491 . . . . 1.29 110.053 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.2 ttt -65.53 -37.8 87.79 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.994 -0.548 . . . . 0.66 110.297 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -59.7 -28.6 67.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.71 111.395 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -71.93 -42.83 66.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.976 0.417 . . . . 2.83 110.566 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -76.58 -23.77 53.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.099 0.476 . . . . 2.06 110.375 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.18 -29.98 69.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.637 -0.71 . . . . 1.16 110.025 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 89.0 mt -66.24 -38.68 88.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.123 0.487 . . . . 2.35 109.697 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 191' ' ' GLU . 77.0 tttt -67.21 -38.58 85.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.478 -0.783 . . . . 2.76 110.095 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.43 -51.8 67.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.695 -0.684 . . . . 1.24 109.44 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -61.63 -31.3 71.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.935 -0.575 . . . . 2.24 111.138 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 29.9 tt0 -60.48 -54.27 47.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.816 -0.439 . . . . 2.86 109.816 175.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' ILE . . . . . 0.654 HD12 HG12 ' A' ' 76' ' ' VAL . 62.1 mt -62.25 -42.48 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.717 -0.674 . . . . 1.24 111.132 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.49 ' HA ' ' HE3' ' A' ' 137' ' ' MET . 75.2 p -67.29 -41.04 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.823 -0.351 . . . . 1.75 111.245 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.86 -44.44 80.95 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.223 -0.444 . . . . 3.84 110.409 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 84.9 mt -66.45 -48.55 69.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.29 -0.414 . . . . 3.54 110.903 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.788 HD21 HG21 ' A' ' 83' ' ' THR . 0.3 OUTLIER -55.63 -46.2 77.46 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.024 0.379 . . . . 3.31 112.024 -174.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -57.47 -26.56 61.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.073 0.463 . . . . 6.05 111.26 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -100.16 -20.46 15.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.096 -0.502 . . . . 4.3 111.173 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.566 ' O ' ' HD2' ' A' ' 202' ' ' PRO . 1.0 OUTLIER -92.83 -45.36 8.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.162 -0.472 . . . . 5.29 112.193 -170.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 196' ' ' LEU . 9.9 tp -71.59 -32.84 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.694 0.283 . . . . 3.27 111.685 -173.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 205' ' ' GLU . 33.5 tt0 -62.86 -50.29 78.02 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 112.441 0.534 . . . . 6.5 112.441 -174.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' PRO . . . . . 0.566 ' HD2' ' O ' ' A' ' 199' ' ' GLU . 41.4 Cg_exo -58.05 -28.48 83.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 C-N-CA 122.01 1.807 . . . . 6.81 112.853 -178.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' A' ' 199' ' ' GLU . 0.9 OUTLIER -71.86 -33.72 68.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 6.75 110.247 179.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.643 HD11 ' HG2' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -74.47 -48.31 28.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.003 -0.74 . . . . 6.12 109.003 175.063 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 201' ' ' GLU . 10.3 mm-40 -54.15 -51.33 64.61 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.238 -0.892 . . . . 9.31 111.493 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 206' ' ' LYS . 10.8 ptmm? -63.19 -41.12 99.15 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 120.764 -0.374 . . . . 10.45 111.024 -177.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.616 HD23 HG21 ' A' ' 126' ' ' VAL . 21.1 tp -60.83 -43.03 98.82 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.688 0.28 . . . . 7.6 110.811 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -58.06 -50.2 74.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.879 -0.6 . . . . 9.48 110.445 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.5 -50.55 36.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.348 0.594 . . . . 12.83 111.714 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.82 -46.98 79.69 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.065 -0.971 . . . . 10.85 112.365 -171.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -65.67 -28.18 68.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.819 0.343 . . . . 10.09 110.719 -174.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.592 ' HD3' HG21 ' A' ' 115' ' ' ILE . 7.8 mmp_? -77.72 -44.71 26.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.074 0.464 . . . . 12.5 110.279 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.664 ' O ' ' HB2' ' A' ' 217' ' ' PHE . . . -70.13 -32.99 71.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.01 -0.541 . . . . 13.01 111.436 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.79 ' HE2' ' HA ' ' A' ' 99' ' ' LYS . 52.3 t80 -76.63 -54.66 6.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.554 -0.294 . . . . 13.47 111.483 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 63.4 mt -78.59 -53.05 7.61 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.575 0.583 . . . . 11.97 112.575 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -77.38 -58.42 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.631 0.253 . . . . 12.73 111.632 -174.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . 0.664 ' HB2' ' O ' ' A' ' 213' ' ' ALA . 30.8 m-85 -54.59 -59.18 5.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.246 0.546 . . . . 13.81 110.987 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -93.43 38.75 1.05 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.682 -0.69 . . . . 15.46 111.097 -175.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -54.12 -56.2 20.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.526 -0.761 . . . . 15.41 111.488 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 20.0 p -93.45 80.26 4.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.959 -0.564 . . . . 17.57 110.993 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 C--O 1.252 1.189 0 CA-C-N 115.923 -0.581 . . . . 17.45 111.099 178.652 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.765 -0.534 . . . . 21.3 111.765 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -151.61 -58.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 20.91 110.741 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 89.3 mtp -76.92 -29.82 55.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.445 -0.343 . . . . 18.53 110.988 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 67.09 10.92 8.08 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.295 0.569 . . . . 17.71 111.199 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 115.56 21.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.138 -0.483 . . . . 14.57 110.634 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -89.37 96.18 5.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.058 0.456 . . . . 12.18 110.019 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 p -104.14 145.67 31.11 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.894 -0.594 . . . . 9.93 111.509 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -82.41 6.18 5.9 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.84 2.36 . . . . 8.73 112.647 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.8 mmt -73.53 141.61 46.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 8.19 110.708 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -83.05 176.12 9.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.585 . . . . 6.67 111.063 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -78.18 177.34 8.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.082 -0.508 . . . . 6.27 110.088 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 59.8 t -79.93 119.78 77.77 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.501 -0.318 . . . . 3.08 110.148 178.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 19.4 Cg_exo -65.96 135.03 39.35 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.622 2.215 . . . . 1.71 111.491 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.53 -37.54 78.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.422 -0.354 . . . . 2.27 111.218 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 79.8 mt -57.15 -47.78 80.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 2.13 110.329 174.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.35 -34.59 74.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 1.02 110.78 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.41 -45.18 92.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.989 -0.55 . . . . 2.23 110.468 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -69.42 -40.21 77.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 1.52 110.825 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 49.7 mt-10 -62.9 -38.9 92.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 2.43 110.621 177.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 24' ' ' MET . 35.5 tt0 -65.6 -37.7 87.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.927 -0.579 . . . . 1.99 109.96 177.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -61.65 -40.05 93.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.931 -0.577 . . . . 1.14 110.673 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.5 mmt -63.18 -38.17 90.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 1.4 110.289 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -64.01 -43.9 94.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 3.34 110.177 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.482 ' HA ' ' HB2' ' A' ' 29' ' ' LYS . 95.4 mmm -60.07 -43.46 95.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 1.35 110.471 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.31 -55.53 10.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 1.17 112.107 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -65.31 -42.8 92.66 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.998 0.37 . . . . 1.45 111.998 -174.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.94 2.25 43.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.317 0.579 . . . . 2.5 110.378 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.82 31.32 20.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.3 -0.864 . . . . 2.34 111.38 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 24' ' ' MET . 14.4 mmmm -80.09 -16.3 55.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 3.29 110.288 177.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.428 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 10.4 tt -73.03 107.73 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-O 121.727 0.775 . . . . 0.81 109.964 176.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -102.11 -166.68 1.31 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.589 -0.732 . . . . 2.15 109.047 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.56 -51.27 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -172.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.66 -31.08 70.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.986 0.422 . . . . 1.24 111.763 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 30' ' ' ILE . 8.0 p30 -109.89 14.81 23.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.333 -0.394 . . . . 1.45 110.86 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.406 ' HA ' HD11 ' A' ' 30' ' ' ILE . 22.8 t -71.17 -23.48 62.06 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.131 -1.063 . . . . 1.07 108.131 170.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -87.19 156.92 19.48 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.768 -1.105 . . . . 0.9 109.723 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 70.88 1.65 3.86 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.554 0.741 . . . . 2.37 110.825 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' HB3' HD11 ' A' ' 71' ' ' ILE . 16.0 m-85 -111.07 90.33 3.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.082 -0.508 . . . . 1.61 110.195 175.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.61 118.82 25.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.482 . . . . 1.04 110.322 173.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.6 mt -73.13 -17.7 61.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.628 -0.715 . . . . 1.62 110.96 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.7 -37.65 54.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.5 -0.773 . . . . 1.81 111.778 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.0 -36.77 75.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 2.45 110.734 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.527 ' HD2' ' HG ' ' A' ' 49' ' ' LEU . 94.9 m-85 -83.91 -31.85 25.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.078 -0.51 . . . . 1.91 111.56 -178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.421 ' CD1' HG21 ' A' ' 150' ' ' THR . 24.4 m-85 -67.28 -42.03 84.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.702 -0.226 . . . . 2.0 111.587 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -75.88 -23.62 55.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.555 -0.293 . . . . 1.33 111.07 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.29 -52.91 9.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 2.94 109.989 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.2 mtt 69.35 -49.48 0.61 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.163 -0.926 . . . . 1.99 112.692 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.589 ' HA ' ' HB3' ' A' ' 51' ' ' LYS . 8.5 t -54.05 -23.95 15.48 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.261 0.624 . . . . 3.73 112.185 -172.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.527 ' HG ' ' HD2' ' A' ' 43' ' ' TYR . 2.8 tm? -48.75 -50.45 33.78 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.911 0.386 . . . . 2.19 110.201 173.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 49' ' ' LEU . 66.8 mt -121.41 26.06 9.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 3.39 110.911 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.589 ' HB3' ' HA ' ' A' ' 48' ' ' SER . 49.3 tttm -118.6 127.71 53.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.287 -0.415 . . . . 3.18 109.892 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -110.42 113.07 25.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.259 -0.428 . . . . 2.55 110.746 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.29 -106.45 2.1 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 121.054 -0.593 . . . . 1.64 112.399 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -119.72 -24.76 6.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.856 0.36 . . . . 2.87 110.7 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.0 t -94.15 170.61 9.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.099 0.476 . . . . 1.64 110.602 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.16 135.22 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.86 -0.609 . . . . 0.63 110.08 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -66.76 103.96 1.22 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.064 -0.516 . . . . 2.33 109.735 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.489 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 86.0 m-85 -70.04 -9.63 55.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.918 -0.583 . . . . 0.82 110.355 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.585 ' HA ' ' HE1' ' A' ' 170' ' ' MET . 0.8 OUTLIER -71.09 -58.88 3.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.764 -0.828 . . . . 1.65 108.764 -177.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -68.68 -28.34 66.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.354 -0.839 . . . . 2.25 110.244 177.493 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -66.09 -47.06 75.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.62 111.31 -176.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.682 ' HB2' ' HG2' ' A' ' 174' ' ' ARG . 19.4 p -69.39 -35.95 76.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.005 0.431 . . . . 1.13 110.331 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.1 t -61.05 -50.81 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.656 -0.702 . . . . 0.99 110.334 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.0 p -66.66 -28.6 68.6 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.212 -0.449 . . . . 1.36 111.252 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.95 -44.39 76.88 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.767 -0.457 . . . . 1.52 109.767 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.39 -42.61 98.81 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.159 0.504 . . . . 0.82 110.351 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.23 -32.99 86.04 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.832 -0.699 . . . . 0.56 111.822 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.638 ' HA ' HG22 ' A' ' 71' ' ' ILE . 49.8 t -64.01 -38.01 89.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.623 0.249 . . . . 1.16 110.549 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.81 -39.9 85.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.29 0.566 . . . . 1.54 110.087 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -68.41 -50.98 48.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.792 -0.64 . . . . 2.91 110.924 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.657 HD11 ' HB3' ' A' ' 38' ' ' PHE . 15.2 tt -65.64 -33.72 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 1.22 110.845 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.501 ' HE1' ' O ' ' A' ' 140' ' ' VAL . 76.2 t80 -54.05 -54.72 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.86 110.352 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.897 HG21 ' HB3' ' A' ' 185' ' ' LYS . 25.4 p -75.69 -24.91 56.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.017 -0.538 . . . . 0.65 111.833 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -62.54 -40.27 96.28 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.659 -0.496 . . . . 1.3 109.659 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 79' ' ' VAL . 88.4 mtm180 -67.05 -41.13 87.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.953 -0.567 . . . . 1.69 110.322 176.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.643 HG12 HD12 ' A' ' 192' ' ' ILE . 90.8 t -57.62 -42.17 80.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.19 0.519 . . . . 0.78 110.404 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.87 -42.58 94.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.654 -0.703 . . . . 1.87 110.572 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.2 m -63.75 -31.43 72.6 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.87 -0.605 . . . . 1.25 110.985 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.545 HG12 HG23 ' A' ' 83' ' ' THR . 41.0 t -62.76 -41.62 93.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.248 -0.433 . . . . 1.4 109.99 175.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.7 -24.5 67.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.588 0.588 . . . . 1.45 112.588 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.4 m -74.01 -46.27 44.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.467 0.651 . . . . 1.96 109.634 171.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.827 ' HB3' HD21 ' A' ' 133' ' ' LEU . 1.8 tp10 -77.71 -20.14 54.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.212 -0.904 . . . . 2.42 111.399 -173.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.902 HG21 HD22 ' A' ' 196' ' ' LEU . 1.0 OUTLIER -57.85 -29.51 65.04 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.209 -0.307 . . . . 3.15 111.571 -178.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.716 ' HA2' ' HB ' ' A' ' 200' ' ' ILE . . . -56.29 -30.78 58.73 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.99 -0.624 . . . . 4.2 112.107 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 50.8 mmtt -67.99 -29.12 68.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.648 0.261 . . . . 4.88 110.65 -177.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.922 ' HG ' HD13 ' A' ' 133' ' ' LEU . 49.8 mt -53.94 -35.24 61.52 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.989 0.737 . . . . 5.71 112.989 -174.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.576 HD23 ' HB3' ' A' ' 204' ' ' LEU . 53.2 tp -52.63 -42.62 64.8 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.781 0.289 . . . . 6.68 111.781 -175.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.953 ' HB2' ' HG2' ' A' ' 127' ' ' GLU . 71.7 p -60.39 -47.32 86.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.317 -0.402 . . . . 8.18 110.985 -177.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.5 -44.01 74.72 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.925 -0.655 . . . . 8.78 112.214 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.05 -42.4 90.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 8.69 110.741 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.32 -38.56 81.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 10.13 110.871 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.23 -46.63 76.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 12.11 110.789 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.8 m -63.27 -38.25 90.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.356 -0.383 . . . . 11.17 110.805 178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -67.32 -37.55 83.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 11.37 111.028 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.05 -76.77 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.188 -0.46 . . . . 13.64 110.461 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m 52.1 23.81 2.44 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.258 0.836 . . . . 13.75 113.258 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -129.81 139.4 51.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.231 -0.293 . . . . 16.1 110.405 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.9 tttm 55.73 86.51 0.06 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.238 0.542 . . . . 14.61 110.542 -172.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.56 146.28 42.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.949 -0.569 . . . . 16.89 109.869 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -77.53 161.34 27.97 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.106 -0.497 . . . . 14.47 110.293 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.414 ' HE ' ' HB2' ' A' ' 101' ' ' ARG . 36.1 mtm180 -65.99 -51.34 59.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.423 0.63 . . . . 17.73 109.426 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.78 132.97 52.14 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.745 -1.116 . . . . 14.83 110.38 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -92.91 -32.03 14.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.249 0.547 . . . . 16.07 109.74 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -168.48 178.85 41.81 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.401 -0.818 . . . . 14.74 111.654 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.04 -164.66 29.97 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.992 -0.623 . . . . 15.53 112.031 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.67 109.11 2.72 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.865 -0.683 . . . . 15.58 111.902 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.5 t -76.02 116.81 17.08 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.701 -0.481 . . . . 15.74 109.701 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -175.13 97.65 0.12 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 121.126 -0.559 . . . . 16.77 111.994 -177.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.425 ' HA2' ' ND2' ' A' ' 116' ' ' ASN . . . 174.02 52.89 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.023 -0.608 . . . . 17.08 111.801 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.0 t -165.2 -34.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.031 0.443 . . . . 17.9 110.331 -177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.58 -57.88 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.807 -0.633 . . . . 16.88 110.978 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 112' ' ' ARG . 13.5 ptt180 -112.62 160.96 17.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.21 -0.45 . . . . 15.45 110.172 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -103.84 3.0 33.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.224 0.535 . . . . 17.68 110.686 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.516 ' HD3' ' HZ ' ' A' ' 217' ' ' PHE . 24.1 mttp -72.99 -162.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.576 0.703 . . . . 14.48 111.641 173.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.492 HG22 ' HD2' ' A' ' 214' ' ' PHE . 82.9 mt -61.17 119.43 5.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.816 -1.084 . . . . 11.8 110.817 174.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.425 ' ND2' ' HA2' ' A' ' 109' ' ' GLY . 91.5 m-20 -95.12 153.3 39.8 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.295 -0.411 . . . . 11.37 111.002 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.13 -22.58 73.1 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.621 2.214 . . . . 10.68 112.435 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.448 ' HA ' HD22 ' A' ' 121' ' ' ASN . 51.5 mtmt -70.95 -10.66 60.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.573 -0.285 . . . . 10.74 111.721 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.6 t -61.78 -36.69 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 8.53 110.067 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.3 mtm -73.36 -27.6 61.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 8.74 110.268 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.448 HD22 ' HA ' ' A' ' 118' ' ' LYS . 21.5 m-80 -68.65 -32.08 71.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.9 -0.591 . . . . 7.33 110.565 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 26.3 mmt -61.73 -42.95 99.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 7.24 109.781 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.463 ' O ' ' HG3' ' A' ' 127' ' ' GLU . 59.8 mt -71.0 -33.36 51.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.558 -0.746 . . . . 5.24 111.159 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 29.1 t70 -56.45 -37.11 69.83 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.037 0.446 . . . . 4.69 110.662 177.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.4 t -68.78 -36.46 78.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.81 -0.632 . . . . 4.02 110.402 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 207' ' ' LEU . 73.5 t -60.99 -43.89 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.746 -0.661 . . . . 3.81 110.52 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.953 ' HG2' ' HB2' ' A' ' 88' ' ' SER . 44.0 mt-10 -61.93 -34.39 76.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.774 -0.648 . . . . 4.32 111.234 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 124' ' ' ASP . 41.7 mmtm -71.3 -31.27 67.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.014 -0.539 . . . . 4.42 111.16 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -61.03 -27.99 68.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.032 -0.531 . . . . 4.65 111.91 -174.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.3 OUTLIER -56.08 -29.42 60.52 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.669 0.271 . . . . 3.16 111.355 -178.209 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.847 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 71.5 mtm -67.56 -40.38 84.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.838 0.351 . . . . 3.28 110.7 -178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -72.95 -31.01 64.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.134 0.492 . . . . 1.58 109.794 174.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.922 HD13 ' HG ' ' A' ' 86' ' ' LEU . 8.1 mt -62.65 -45.65 91.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.798 -0.637 . . . . 1.83 112.628 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.847 ' HE2' ' HA ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -59.82 -38.28 81.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.328 -0.619 . . . . 3.67 109.328 177.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.3 -45.47 84.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.658 -0.701 . . . . 1.73 110.524 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.666 ' HE2' ' HA ' ' A' ' 133' ' ' LEU . 73.1 mtm -66.96 -43.28 83.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.697 -0.229 . . . . 1.05 111.522 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.532 ' O ' HG22 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -60.65 -46.55 89.9 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.059 0.457 . . . . 1.44 110.491 175.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -66.63 -25.31 66.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 3.44 110.956 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.597 ' HA ' ' HE3' ' A' ' 142' ' ' LYS . 23.2 m -64.75 -48.08 75.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.447 -0.342 . . . . 1.16 111.052 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 137' ' ' MET . 18.3 m -64.67 -33.41 63.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.175 -0.61 . . . . 1.15 110.122 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 53.0 mt -74.19 -40.52 62.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.968 0.359 . . . . 1.45 111.968 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.597 ' HE3' ' HA ' ' A' ' 139' ' ' THR . 22.1 pttp -69.96 -39.91 75.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.013 -0.366 . . . . 3.01 110.013 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.52 ' O ' HG13 ' A' ' 147' ' ' ILE . 1.4 m-20 -64.76 -32.41 74.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.973 -0.558 . . . . 1.64 110.145 176.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.563 ' HB3' ' O ' ' A' ' 141' ' ' LEU . 58.9 tttp -53.87 -53.15 56.57 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.064 -0.516 . . . . 1.8 110.289 173.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 149' ' ' GLU . 36.2 m80 -62.77 -41.13 99.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.741 -0.663 . . . . 0.84 110.293 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 74.1 mmtt -60.2 -41.82 93.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 2.66 111.557 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 143' ' ' ASP . 81.8 mt -62.59 -46.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.954 -0.387 . . . . 0.59 109.954 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -54.74 -44.84 73.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 2.39 110.649 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 145' ' ' HIS . 71.9 mm-40 -60.25 -42.75 95.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.903 -0.59 . . . . 2.47 110.859 177.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.421 HG21 ' CD1' ' A' ' 44' ' ' PHE . 33.1 m -63.57 -44.94 92.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.774 -0.648 . . . . 0.71 111.0 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 147' ' ' ILE . 69.8 mt -59.79 -41.92 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 1.05 110.618 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.92 -34.21 76.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.409 . . . . 0.49 111.264 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.723 ' O ' ' HG2' ' A' ' 156' ' ' GLU . 76.0 m -73.4 -45.0 57.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.54 111.25 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.444 HD23 ' CE1' ' A' ' 171' ' ' PHE . 15.8 tp -66.18 -28.11 68.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.551 0.691 . . . . 1.37 109.549 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.19 -38.6 78.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.21 -0.905 . . . . 0.78 111.463 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.723 ' HG2' ' O ' ' A' ' 153' ' ' THR . 9.5 pt-20 -70.93 -23.81 62.32 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.959 0.409 . . . . 2.52 110.283 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -69.68 -33.66 72.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.467 -0.333 . . . . 0.92 110.482 172.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.615 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 63.1 tttt -71.51 -21.74 61.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.54 0.686 . . . . 1.93 109.86 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.98 -48.86 27.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.649 -0.705 . . . . 3.78 110.555 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -75.1 -36.43 61.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.866 0.365 . . . . 2.94 110.869 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -109.89 98.3 7.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 1.97 109.836 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 7.1 p -64.87 -41.77 95.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.734 -0.666 . . . . 3.67 111.721 -175.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -129.13 -36.38 0.43 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.623 -0.799 . . . . 3.19 112.761 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 61.48 -114.38 6.65 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.931 -0.868 . . . . 2.95 110.931 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.5 t -110.56 -54.55 2.57 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.478 -0.934 . . . . 3.61 108.478 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -173.1 132.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.267 -0.879 . . . . 3.62 109.63 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 140.97 -30.37 2.27 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.231 -0.985 . . . . 1.32 112.891 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.615 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 39.2 p -64.34 -44.06 92.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 1.5 111.46 -176.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -72.38 -33.65 67.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.87 0.367 . . . . 3.65 110.527 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . 0.585 ' HE1' ' HA ' ' A' ' 59' ' ' GLN . 13.9 tmm? -69.3 -33.3 72.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 1.37 110.27 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.444 ' CE1' HD23 ' A' ' 154' ' ' LEU . 44.5 t80 -58.25 -34.29 70.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.123 -0.49 . . . . 0.9 110.525 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.12 -44.41 79.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.07 0.462 . . . . 2.38 110.144 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.12 -35.54 81.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.352 -0.84 . . . . 2.29 110.4 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.682 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 20.6 tpp180 -75.44 -39.07 59.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.059 -0.519 . . . . 3.45 111.115 176.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -54.88 -50.82 67.78 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.002 0.189 . . . . 1.22 111.273 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -55.95 -38.81 70.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.406 -0.361 . . . . 1.35 111.181 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -80.01 -42.13 24.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.027 0.441 . . . . 2.03 110.862 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.05 75.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.927 -0.579 . . . . 0.91 110.784 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.471 HD11 HD13 ' A' ' 151' ' ' ILE . 10.9 mp -67.71 -32.98 74.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 1.63 110.856 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.0 -49.18 77.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.117 0.484 . . . . 3.14 110.23 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 25.6 m -69.62 -40.66 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.461 -0.79 . . . . 1.29 110.665 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 27.4 ttt -63.06 -35.48 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.66 110.839 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -63.6 -45.96 87.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.068 0.461 . . . . 0.71 110.703 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.497 ' HA ' HD12 ' A' ' 187' ' ' LEU . 13.6 mmmm -67.86 -37.59 82.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.846 -0.615 . . . . 2.83 110.926 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.897 ' HB3' HG21 ' A' ' 73' ' ' THR . 67.4 mmtt -70.75 -31.39 68.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.97 -0.559 . . . . 2.06 111.292 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.38 -36.39 81.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.135 0.493 . . . . 1.16 109.898 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 184' ' ' LYS . 81.6 mt -61.44 -34.31 75.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.746 -0.661 . . . . 2.35 110.297 174.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 188' ' ' LYS . 2.7 mmmp? -72.85 -33.73 66.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 2.76 110.296 177.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 21.0 tp -62.63 -46.7 87.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 1.24 109.94 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.42 -43.59 88.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 2.24 110.034 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.53 -44.43 85.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.781 -0.645 . . . . 2.86 110.806 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' ILE . . . . . 0.643 HD12 HG12 ' A' ' 76' ' ' VAL . 10.8 mt -58.8 -43.33 87.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 1.24 111.841 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.418 ' HA ' HD23 ' A' ' 196' ' ' LEU . 82.1 p -61.97 -46.06 90.93 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.002 0.43 . . . . 1.75 111.301 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.79 -32.59 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.122 -0.49 . . . . 3.84 110.736 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.0 tp -70.09 -49.68 48.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.908 -0.587 . . . . 3.54 110.667 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.902 HD22 HG21 ' A' ' 83' ' ' THR . 1.7 pp -58.38 -34.83 71.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 3.31 110.306 -178.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -46.43 -42.18 14.86 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.511 0.507 . . . . 6.05 111.183 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' ASP . . . . . 0.419 ' O ' ' HD2' ' A' ' 202' ' ' PRO . 59.9 m-20 -94.93 -43.53 8.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.099 -0.5 . . . . 4.3 110.443 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.432 ' HG2' ' HE3' ' A' ' 203' ' ' LYS . 40.5 tt0 -64.28 -40.52 96.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.558 0.947 . . . . 5.29 113.558 -169.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.776 HG21 ' HB ' ' A' ' 83' ' ' THR . 24.1 pt -70.82 -25.76 26.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.787 0.327 . . . . 3.27 111.471 -172.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.412 ' HB3' ' CD ' ' A' ' 202' ' ' PRO . 45.8 tt0 -58.08 -60.63 9.47 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-N 115.878 -0.601 . . . . 6.5 111.545 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 198' ' ' ASP . 38.3 Cg_endo -67.48 -22.64 44.75 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.664 1.576 . . . . 6.81 112.119 175.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . 0.432 ' HE3' ' HG2' ' A' ' 199' ' ' GLU . 40.6 ttmt -64.73 -50.57 66.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.012 -0.54 . . . . 6.75 110.779 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.606 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 9.5 tt -75.31 -27.26 59.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.545 0.212 . . . . 6.12 110.524 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 209' ' ' GLN . 27.9 tt0 -54.11 -23.92 15.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.059 -0.519 . . . . 9.31 112.258 -173.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.532 ' HG3' HD12 ' A' ' 207' ' ' LEU . 0.0 OUTLIER -59.4 -37.76 78.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 120.839 -0.344 . . . . 10.45 110.378 175.029 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.532 HD12 ' HG3' ' A' ' 206' ' ' LYS . 9.0 mp -74.95 -39.52 61.29 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.995 0.426 . . . . 7.6 110.395 174.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -58.95 -40.75 85.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 9.48 110.152 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 205' ' ' GLU . 16.1 mm100 -61.44 -35.19 76.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.638 -0.71 . . . . 12.83 111.079 177.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 206' ' ' LYS . 45.6 mt-10 -66.57 -40.41 88.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.503 -0.317 . . . . 10.85 110.837 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.5 -41.63 88.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.175 0.512 . . . . 10.09 109.654 176.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -62.35 -39.13 92.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.565 -0.743 . . . . 12.5 110.375 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.6 79.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.708 -0.678 . . . . 13.01 111.193 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.492 ' HD2' HG22 ' A' ' 115' ' ' ILE . 84.1 t80 -67.6 -39.69 84.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 13.47 110.083 177.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.13 -33.76 76.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.772 -0.649 . . . . 11.97 110.745 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.27 -44.42 29.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 12.73 110.322 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . 0.516 ' HZ ' ' HD3' ' A' ' 114' ' ' LYS . 76.7 t80 -54.74 -50.49 68.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.243 -0.889 . . . . 13.81 111.136 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -79.66 78.07 6.24 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.108 0.48 . . . . 15.46 110.168 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -80.76 -45.18 17.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.579 -0.737 . . . . 15.41 110.437 -176.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 24.9 p -85.07 94.22 8.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.3 0.571 . . . . 17.57 110.208 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.525 -0.75 . . . . 17.45 110.391 -178.657 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.96 -0.456 . . . . 21.3 111.96 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -100.59 -59.28 1.73 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.971 0.415 . . . . 20.91 109.958 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.9 ttp -120.91 125.21 46.86 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.827 -0.624 . . . . 18.53 109.835 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -76.4 101.05 5.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.396 -0.365 . . . . 17.71 110.084 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.16 -173.66 0.12 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.691 0.62 . . . . 14.57 111.379 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t -111.78 94.3 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.172 -0.467 . . . . 12.18 109.8 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 35.4 p -92.03 138.49 24.6 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.254 -0.43 . . . . 9.93 110.481 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 7' ' ' THR . 38.9 Cg_exo -60.81 -27.09 84.25 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.972 2.448 . . . . 8.73 112.208 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.9 ttt 60.66 91.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.101 -0.954 . . . . 8.19 110.985 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 tptt 62.97 93.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.146 -0.934 . . . . 6.67 111.713 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -98.64 144.0 28.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.467 -0.788 . . . . 6.27 109.108 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.41 128.89 91.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 121.129 0.49 . . . . 3.08 111.216 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.8 108.48 2.58 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.512 2.141 . . . . 1.71 112.117 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.6 mm -75.51 -16.69 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.449 0.642 . . . . 2.27 109.791 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.552 HD23 ' HG ' ' A' ' 49' ' ' LEU . 88.1 mt -52.81 -36.82 59.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.307 -0.86 . . . . 2.13 110.824 175.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.66 -33.95 73.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.921 -0.581 . . . . 1.02 111.285 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -70.37 -39.46 74.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.37 0.605 . . . . 2.23 109.967 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.539 ' HE1' HG21 ' A' ' 64' ' ' THR . 40.2 t80 -63.06 -49.69 73.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.22 -0.9 . . . . 1.52 111.095 -177.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.59 -26.87 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.475 -0.33 . . . . 2.43 111.021 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -60.3 -45.55 92.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.182 0.515 . . . . 1.99 109.849 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.53 ' HZ3' ' HE1' ' A' ' 43' ' ' TYR . 46.6 m0 -63.81 -37.46 87.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.601 -0.727 . . . . 1.14 110.781 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.584 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -70.34 -36.83 74.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 1.4 110.578 -178.226 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -62.82 -36.6 83.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.016 0.436 . . . . 3.34 110.045 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 68.1 mmm -68.63 -42.56 77.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.882 -0.599 . . . . 1.35 110.789 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.3 -36.78 74.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.768 0.655 . . . . 1.17 112.768 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.4 p -61.11 -50.75 71.99 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.046 0.758 . . . . 1.45 113.046 -171.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -96.8 6.63 48.3 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.088 -0.245 . . . . 2.5 110.823 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.0 m120 65.18 35.63 7.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.913 -0.585 . . . . 2.34 111.528 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.0 -16.99 60.6 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.529 0.681 . . . . 3.29 109.297 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 35' ' ' SER . 6.0 tt -62.83 103.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.023 -0.99 . . . . 0.81 110.677 177.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -70.68 157.01 38.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 2.15 109.858 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -64.24 -30.74 71.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.602 0.239 . . . . 1.0 111.297 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -38.14 72.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.153 0.502 . . . . 1.24 110.773 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.454 ' ND2' HG13 ' A' ' 30' ' ' ILE . 2.4 p-10 -110.34 14.39 22.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.865 -0.607 . . . . 1.45 110.921 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.502 ' HA ' HD11 ' A' ' 30' ' ' ILE . 32.8 t -67.81 -20.57 65.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.59 -0.892 . . . . 1.07 108.59 173.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -96.67 148.0 23.32 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.55 -1.205 . . . . 0.9 109.013 174.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 74.23 -0.5 3.33 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.213 1.005 . . . . 2.37 111.291 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.682 ' HB3' HD11 ' A' ' 71' ' ' ILE . 1.1 m-85 -88.7 82.72 6.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.046 -0.724 . . . . 1.61 109.046 169.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB2' HH22 ' A' ' 75' ' ' ARG . . . -123.82 116.73 23.45 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.92 -0.712 . . . . 1.04 111.769 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 44' ' ' PHE . 9.1 mp -74.72 -18.87 60.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.035 -0.984 . . . . 1.62 109.808 168.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.45 -38.89 58.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 114.63 -1.168 . . . . 1.81 112.749 -169.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.95 -33.4 64.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.073 0.463 . . . . 2.45 111.054 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' HE1' ' HZ3' ' A' ' 21' ' ' TRP . 82.7 m-85 -84.28 -29.35 26.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.811 -0.631 . . . . 1.91 111.356 -177.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' HB3' HG21 ' A' ' 150' ' ' THR . 67.1 m-85 -72.77 -42.04 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.107 0.48 . . . . 2.0 110.191 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -53.59 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.429 -0.805 . . . . 1.33 110.219 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -95.57 93.07 6.95 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.772 -0.825 . . . . 2.94 108.772 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.941 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . 63.3 mtt -71.13 89.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.355 -0.839 . . . . 1.99 111.673 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 m -126.47 -40.28 1.96 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.323 -0.853 . . . . 3.73 109.862 175.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.552 ' HG ' HD23 ' A' ' 15' ' ' LEU . 8.7 tt -83.88 -45.71 12.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 2.19 110.506 -178.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.5 mm? -81.56 -30.21 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 3.39 110.811 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 47' ' ' MET . 87.1 tttt -80.78 124.34 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.166 -0.47 . . . . 3.18 110.276 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -115.61 98.07 6.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.868 -0.605 . . . . 2.55 110.116 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.22 -127.23 8.47 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.852 -0.69 . . . . 1.64 112.378 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.05 -14.88 30.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.86 0.362 . . . . 2.87 110.997 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.4 m -136.19 -173.61 3.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.624 -0.509 . . . . 1.64 109.624 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 50' ' ' LEU . 7.6 p -125.95 131.97 71.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.272 0.558 . . . . 0.63 110.674 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -72.13 108.07 5.13 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.345 -0.843 . . . . 2.33 109.811 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.737 ' HZ ' ' HB3' ' A' ' 157' ' ' TYR . 72.3 m-85 -69.9 -6.85 35.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.481 -0.781 . . . . 0.82 111.423 -174.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.419 ' HA ' ' CE ' ' A' ' 170' ' ' MET . 0.6 OUTLIER -71.7 -58.52 3.41 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.981 -0.748 . . . . 1.65 108.981 -178.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -66.88 -32.44 73.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.946 -0.57 . . . . 2.25 110.654 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.518 ' HB1' HD21 ' A' ' 154' ' ' LEU . . . -62.49 -46.5 88.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.62 111.193 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.8 ' HB3' ' HD3' ' A' ' 174' ' ' ARG . 40.0 m -68.58 -36.48 78.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.354 . . . . 1.13 110.762 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 45.7 t -61.53 -49.2 77.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.007 -0.542 . . . . 0.99 110.483 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.539 HG21 ' HE1' ' A' ' 18' ' ' PHE . 18.1 p -74.66 -29.41 61.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.761 -0.654 . . . . 1.36 111.367 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.2 tm? -62.34 -41.98 99.01 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.422 -0.584 . . . . 1.52 109.422 176.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.75 -48.72 80.25 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.097 -0.501 . . . . 0.82 110.268 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.05 -32.35 81.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.56 111.969 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.655 ' HA ' HG22 ' A' ' 71' ' ' ILE . 41.9 t -68.22 -33.15 73.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.596 0.236 . . . . 1.16 110.898 179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 65' ' ' LEU . 88.4 t -65.77 -38.34 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.272 0.558 . . . . 1.54 109.858 175.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -67.91 -46.14 72.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.629 -0.714 . . . . 2.91 110.864 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.682 HD11 ' HB3' ' A' ' 38' ' ' PHE . 14.5 tt -68.8 -33.15 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 1.22 110.637 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 75' ' ' ARG . 81.5 t80 -57.08 -51.58 68.7 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.925 0.393 . . . . 0.86 110.728 176.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.2 p -71.01 -26.7 63.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.404 -0.362 . . . . 0.65 110.975 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 m -63.33 -33.11 74.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.902 0.382 . . . . 1.3 110.18 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.517 HH22 ' HB2' ' A' ' 39' ' ' ALA . 86.9 mtt180 -65.33 -42.46 92.92 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.02 -0.536 . . . . 1.69 110.151 174.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.866 HG12 HD12 ' A' ' 192' ' ' ILE . 23.1 t -58.45 -42.11 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.838 -0.619 . . . . 0.78 109.833 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -66.34 -32.15 73.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.782 -0.644 . . . . 1.87 110.855 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 t -66.44 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 1.25 110.12 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.07 -48.84 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.4 109.727 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.4 81.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 1.45 110.888 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.6 m -61.92 -40.14 94.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.23 0.538 . . . . 1.96 109.958 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.8 -33.68 74.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 2.42 110.094 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.632 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 7.1 m -65.17 -36.23 83.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.94 -0.573 . . . . 3.15 109.888 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.75 -25.61 61.56 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.458 -0.792 . . . . 4.2 113.028 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -61.89 -43.12 99.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.064 0.459 . . . . 4.88 109.8 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 86' ' ' LEU . 5.8 mp -74.53 -42.12 59.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.795 -0.638 . . . . 5.71 110.282 176.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 83' ' ' THR . 72.9 mt -59.91 -45.62 91.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.565 -0.743 . . . . 6.68 111.76 -175.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.4 p -61.27 -34.99 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.242 -0.436 . . . . 8.18 111.818 -175.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.44 94.43 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.946 -0.645 . . . . 8.78 111.934 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 mp -78.1 -21.8 49.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.777 0.323 . . . . 8.69 111.098 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.92 -8.14 46.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 10.13 111.241 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.05 -45.86 93.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 12.11 110.007 176.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 t -141.25 98.68 3.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.952 -0.567 . . . . 11.17 110.014 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -111.92 -37.77 5.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.507 -0.315 . . . . 11.37 111.326 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -81.37 141.89 33.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.739 0.304 . . . . 13.64 110.441 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 p -72.67 108.77 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.12 -0.491 . . . . 13.75 110.815 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -95.21 -81.65 0.39 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.916 -0.584 . . . . 16.1 110.128 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -136.93 98.27 3.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.177 0.513 . . . . 14.61 111.122 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.45 17.88 13.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.719 0.771 . . . . 16.89 109.148 173.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -73.1 133.67 44.24 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.356 -1.293 . . . . 14.47 111.356 -175.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -71.63 105.2 3.58 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.587 -0.733 . . . . 17.73 111.36 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -92.56 88.36 6.29 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.192 -0.913 . . . . 14.83 109.574 174.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.567 ' HA ' ' HA2' ' A' ' 109' ' ' GLY . 19.5 m-20 -84.2 90.72 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.017 -0.538 . . . . 16.07 110.559 -176.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.49 168.72 40.2 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.89 -0.595 . . . . 14.74 111.747 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -66.99 -30.94 76.69 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.066 -0.588 . . . . 15.53 113.019 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.21 -50.75 43.1 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.107 -0.568 . . . . 15.58 112.885 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.4 t -80.09 -39.0 30.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.851 0.357 . . . . 15.74 111.032 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.8 -51.22 0.53 Allowed Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.197 -0.761 . . . . 16.77 111.197 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.567 ' HA2' ' HA ' ' A' ' 103' ' ' ASP . . . 109.72 -152.71 17.15 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.568 -0.825 . . . . 17.08 112.572 175.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.1 m -75.0 -14.17 60.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.732 0.301 . . . . 17.9 111.113 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.43 ' O ' HD12 ' A' ' 111' ' ' LEU . 4.2 pp -67.81 145.05 55.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.034 0.445 . . . . 16.88 110.144 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -120.46 146.4 46.29 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.105 -0.498 . . . . 15.45 109.883 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -70.92 111.65 6.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.946 0.403 . . . . 17.68 110.203 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -72.93 164.71 26.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.101 -0.333 . . . . 14.48 110.101 -178.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.597 ' HB ' ' HB2' ' A' ' 214' ' ' PHE . 49.2 mm -72.78 120.39 21.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.185 -0.461 . . . . 11.8 109.896 178.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.419 ' HB2' HG23 ' A' ' 119' ' ' VAL . 17.0 m120 -86.77 152.34 53.87 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 109.501 -0.555 . . . . 11.37 109.501 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.23 -29.77 84.96 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.437 2.091 . . . . 10.68 111.771 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.428 ' HA ' HD22 ' A' ' 121' ' ' ASN . 74.5 mmtt -69.42 -25.58 64.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.589 . . . . 10.74 110.981 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' A' ' 116' ' ' ASN . 45.1 t -68.52 -32.81 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.154 0.502 . . . . 8.53 109.817 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 24.2 mmt -62.39 -32.59 73.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.812 -0.631 . . . . 8.74 110.452 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.428 HD22 ' HA ' ' A' ' 118' ' ' LYS . 41.3 m-80 -74.57 -31.14 61.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 7.33 110.44 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.437 ' O ' HG23 ' A' ' 126' ' ' VAL . 94.0 mmm -67.59 -46.62 72.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.154 -0.476 . . . . 7.24 110.176 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.465 ' O ' ' HG3' ' A' ' 127' ' ' GLU . 61.6 mt -68.88 -31.12 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.551 . . . . 5.24 110.227 177.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 10.9 t70 -54.23 -50.13 67.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.95 -0.568 . . . . 4.69 110.067 176.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.607 ' O ' ' HG2' ' A' ' 129' ' ' LYS . 25.7 m -61.01 -40.36 93.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.656 -0.702 . . . . 4.02 110.521 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.594 HG11 HD22 ' A' ' 207' ' ' LEU . 85.7 t -58.56 -44.7 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.551 . . . . 3.81 110.671 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.49 ' HG2' HD11 ' A' ' 204' ' ' LEU . 48.1 mt-10 -64.85 -40.78 95.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.396 . . . . 4.32 110.665 177.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.519 ' HA ' ' HE2' ' A' ' 131' ' ' MET . 47.4 mmtm -59.48 -41.14 89.09 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.162 -0.472 . . . . 4.42 110.604 178.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 125' ' ' SER . 32.3 mmmt -61.87 -41.22 97.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 4.65 111.082 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -54.55 -45.58 73.48 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.863 0.363 . . . . 3.16 110.747 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 128' ' ' LYS . 64.1 mtm -60.79 -47.19 87.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.878 -0.601 . . . . 3.28 110.865 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 m -66.77 -36.1 81.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.425 -0.352 . . . . 1.58 111.074 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 129' ' ' LYS . 3.6 mm? -60.25 -48.47 81.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.41 . . . . 1.83 110.662 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -68.57 -38.67 80.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.078 -0.51 . . . . 3.67 110.575 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -60.43 -48.97 79.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.806 -0.634 . . . . 1.73 111.118 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.557 ' O ' HG23 ' A' ' 140' ' ' VAL . 61.4 mtm -60.13 -47.52 85.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.644 -0.253 . . . . 1.05 110.612 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 74.7 mmm -57.06 -43.68 82.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 1.44 111.066 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -69.25 -27.05 65.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.993 0.425 . . . . 3.44 110.451 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 39.6 m -73.31 -36.75 66.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.185 -0.461 . . . . 1.16 110.282 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 136' ' ' MET . 84.9 t -60.45 -51.88 67.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.946 -0.57 . . . . 1.15 110.741 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 8.5 mp -67.14 -29.5 69.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 1.45 111.604 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -61.72 -47.95 82.93 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.317 0.579 . . . . 3.01 110.015 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.622 ' HA ' ' HD2' ' A' ' 146' ' ' LYS . 5.8 m-20 -70.46 -29.42 65.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 1.64 110.376 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 141' ' ' LEU . 53.4 tttm -55.83 -46.5 78.12 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.317 -0.401 . . . . 1.8 110.247 173.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.571 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 29.5 m170 -56.03 -46.14 78.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.894 -0.593 . . . . 0.84 109.785 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 143' ' ' ASP . 90.2 mttt -57.75 -43.84 85.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.627 -0.715 . . . . 2.66 111.072 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 143' ' ' ASP . 69.5 mt -58.9 -48.77 85.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.59 110.462 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.74 -29.23 69.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.763 -0.653 . . . . 2.39 111.036 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 43.5 mt-10 -63.3 -48.75 76.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.504 -0.554 . . . . 2.47 109.504 172.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.451 HG21 ' HB3' ' A' ' 44' ' ' PHE . 34.0 m -59.39 -44.26 92.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.233 -0.894 . . . . 0.71 110.835 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 147' ' ' ILE . 83.9 mt -56.31 -47.67 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.317 -0.401 . . . . 1.05 110.601 177.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.67 97.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.065 -0.516 . . . . 0.49 110.946 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 35.8 m -61.34 -44.21 97.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.228 -0.442 . . . . 0.54 111.02 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.518 HD21 ' HB1' ' A' ' 61' ' ' ALA . 8.3 mp -67.08 -39.5 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 1.37 111.043 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.453 ' HA ' ' HE2' ' A' ' 171' ' ' PHE . 21.5 t70 -61.38 -49.88 75.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.193 0.52 . . . . 0.78 110.655 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' A' ' 160' ' ' LYS . 35.1 mt-10 -70.2 -26.69 63.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.602 . . . . 2.52 110.824 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.737 ' HB3' ' HZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -61.59 -38.64 88.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.838 0.351 . . . . 0.92 110.122 176.357 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.472 ' HE3' ' HB ' ' A' ' 168' ' ' THR . 87.2 tttt -70.04 -35.24 74.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.545 . . . . 1.93 110.161 176.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -66.27 -38.25 87.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 3.78 109.95 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 5.1 mptp? -64.57 -45.79 85.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.842 -0.617 . . . . 2.94 110.177 173.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -54.55 114.63 1.75 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.496 -0.775 . . . . 1.97 111.362 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 8.3 m -107.64 2.26 23.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.802 -0.635 . . . . 3.67 110.345 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -158.98 86.73 0.12 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.951 -0.642 . . . . 3.19 112.155 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 178.67 114.37 0.41 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.037 -0.601 . . . . 2.95 111.642 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 9.5 m -104.21 -32.69 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.041 0.448 . . . . 3.61 110.803 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -70.68 111.73 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 3.62 111.362 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 100.27 -38.7 3.01 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.017 -0.611 . . . . 1.32 112.538 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.472 ' HB ' ' HE3' ' A' ' 158' ' ' LYS . 33.7 p -65.43 -43.08 91.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.772 0.32 . . . . 1.5 111.673 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 169' ' ' ARG . 5.1 ptp180 -69.06 -41.43 77.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.509 -0.314 . . . . 3.65 110.826 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 59' ' ' GLN . 13.6 tmm? -63.35 -43.07 98.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.37 109.932 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.624 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 48.8 t80 -56.12 -43.77 78.5 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.601 -0.727 . . . . 0.9 112.071 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.83 -46.74 70.96 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.818 -0.353 . . . . 2.38 111.135 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -67.9 -34.47 76.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 2.29 110.871 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.8 ' HD3' ' HB3' ' A' ' 62' ' ' SER . 67.4 ttt180 -75.85 -30.04 58.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.741 0.305 . . . . 3.45 110.892 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.32 -49.02 78.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 1.22 110.711 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 180' ' ' LYS . 10.5 pt-20 -61.14 -33.75 73.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.4 -0.364 . . . . 1.35 110.434 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -69.85 -43.8 71.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.27 -0.423 . . . . 2.03 110.362 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.17 81.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.91 111.156 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 151' ' ' ILE . 11.2 mp -67.54 -31.38 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 1.63 110.776 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 176' ' ' GLU . 21.6 ttmm -66.67 -40.46 88.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.257 0.551 . . . . 3.14 109.811 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 51.9 m -70.59 -41.26 72.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 1.29 110.307 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.5 ttt -61.65 -32.88 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.609 -0.723 . . . . 0.66 110.805 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.69 84.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.71 110.997 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.412 ' NZ ' ' HG2' ' A' ' 180' ' ' LYS . 61.9 mttp -71.18 -45.28 63.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 2.83 110.475 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -70.17 -19.6 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.001 -0.545 . . . . 2.06 111.062 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.16 -33.54 76.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.174 0.511 . . . . 1.16 109.993 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.76 -37.31 79.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 2.35 109.703 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 191' ' ' GLU . 26.0 tptp -65.6 -40.0 92.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.51 -0.768 . . . . 2.76 109.742 176.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.585 ' HA ' HG11 ' A' ' 76' ' ' VAL . 24.4 tp -59.86 -50.78 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.576 -0.738 . . . . 1.24 110.386 174.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -59.71 -33.47 71.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 2.24 111.267 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 188' ' ' LYS . 33.5 tt0 -57.11 -53.86 53.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 2.86 110.876 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' ILE . . . . . 0.866 HD12 HG12 ' A' ' 76' ' ' VAL . 63.5 mt -68.58 -38.62 79.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 1.24 110.977 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 11.8 m -59.13 -46.29 88.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.008 0.433 . . . . 1.75 110.57 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . 0.584 ' OE1' ' HD2' ' A' ' 197' ' ' ARG . 4.7 tp10 -65.33 -41.89 93.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.789 -0.642 . . . . 3.84 110.197 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 48.2 tp -55.81 -52.58 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.668 -0.696 . . . . 3.54 110.647 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.508 ' O ' HG22 ' A' ' 200' ' ' ILE . 60.2 tp -59.11 -58.03 10.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 3.31 111.136 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' ARG . . . . . 0.584 ' HD2' ' OE1' ' A' ' 194' ' ' GLU . 5.8 ptp180 -60.11 -35.22 74.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.792 0.293 . . . . 6.05 111.792 -173.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.73 -40.62 40.5 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.977 0.362 . . . . 4.3 111.977 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.89 -37.81 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.582 0.586 . . . . 5.29 112.582 -171.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 196' ' ' LEU . 10.5 tt -71.55 -26.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.484 -0.486 . . . . 3.27 110.989 -175.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.434 ' HB3' ' CD ' ' A' ' 202' ' ' PRO . 8.4 tp10 -61.99 -57.61 22.82 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.395 -0.366 . . . . 6.5 111.037 -177.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' PRO . . . . . 0.497 ' HA ' ' HB3' ' A' ' 205' ' ' GLU . 38.5 Cg_endo -67.14 -24.13 44.96 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 121.738 1.625 . . . . 6.81 112.02 175.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -72.71 -36.54 67.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 6.75 110.251 -177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.594 HD22 HG12 ' A' ' 126' ' ' VAL . 0.2 OUTLIER -75.35 -41.72 55.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.824 -0.806 . . . . 6.12 108.824 172.5 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 202' ' ' PRO . 36.7 tt0 -55.0 -47.54 74.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.312 -0.858 . . . . 9.31 112.155 -177.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.533 ' HG3' HD12 ' A' ' 207' ' ' LEU . 1.0 OUTLIER -61.77 -40.95 96.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.189 -0.204 . . . . 10.45 111.191 -178.603 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.594 HD22 HG11 ' A' ' 126' ' ' VAL . 10.5 mp -68.22 -38.11 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 7.6 110.307 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -62.16 -37.7 86.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.798 -0.637 . . . . 9.48 110.26 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.89 -35.4 76.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 12.83 110.523 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 206' ' ' LYS . 41.9 mt-10 -68.37 -28.75 67.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.247 -0.433 . . . . 10.85 110.485 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 207' ' ' LEU . 29.7 mtpp -63.34 -37.76 88.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.303 0.573 . . . . 10.09 109.725 172.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -71.76 -23.95 61.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.498 -0.773 . . . . 12.5 110.49 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.66 96.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 13.01 110.554 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.597 ' HB2' ' HB ' ' A' ' 115' ' ' ILE . 75.8 t80 -60.93 -39.66 90.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.022 0.439 . . . . 13.47 110.131 176.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 218' ' ' GLN . 86.3 mt -72.84 -23.56 60.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.557 -0.747 . . . . 11.97 110.849 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.07 -37.84 72.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 12.73 109.926 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -76.34 -50.94 12.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.942 -0.572 . . . . 13.81 110.2 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 215' ' ' LEU . 20.0 mm-40 -114.12 113.64 24.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.733 -0.667 . . . . 15.46 110.484 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -88.51 -64.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.811 0.339 . . . . 15.41 110.529 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 23.4 p -91.1 81.49 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.308 0.575 . . . . 17.57 111.2 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.425 -0.798 . . . . 17.45 110.193 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 111.713 -0.555 . . . . 21.3 111.713 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -92.53 145.69 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.765 0.317 . . . . 20.91 110.342 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.4 mtp -88.33 -41.5 12.83 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.378 -0.601 . . . . 18.53 109.378 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -157.84 99.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.419 -0.81 . . . . 17.71 109.483 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.09 144.47 44.95 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.911 -0.586 . . . . 14.57 110.182 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.14 118.66 3.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 12.18 110.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.0 p -76.71 151.0 82.32 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.937 -0.574 . . . . 9.93 111.427 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.94 -9.92 21.07 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.647 2.231 . . . . 8.73 111.912 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.4 mtt -120.24 152.63 37.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.545 -0.752 . . . . 8.19 109.941 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 58.89 94.86 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.101 0.876 . . . . 6.67 111.926 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -92.27 128.14 38.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.812 -0.631 . . . . 6.27 110.265 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.3 t -109.22 101.76 46.5 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.884 -0.598 . . . . 3.08 109.932 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.05 102.09 1.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.65 2.233 . . . . 1.71 111.543 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.31 -37.82 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.726 -0.67 . . . . 2.27 110.124 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 16' ' ' ALA . 1.4 pp -64.81 -25.33 67.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.69 -0.686 . . . . 2.13 111.564 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.513 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -78.73 -42.52 28.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 1.02 110.327 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -62.85 -41.01 99.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 2.23 110.087 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.468 ' O ' ' HG2' ' A' ' 22' ' ' MET . 44.6 t80 -57.9 -39.8 78.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.463 -0.79 . . . . 1.52 111.067 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 7.8 mm-40 -60.82 -42.27 97.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 2.43 111.297 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -58.49 -47.26 84.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.015 -0.539 . . . . 1.99 109.789 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -61.09 -44.01 98.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.299 -0.864 . . . . 1.14 111.049 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 26.9 mmt -64.44 -50.26 68.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 1.4 111.465 -176.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -65.33 -39.32 92.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.901 0.382 . . . . 3.34 110.179 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.821 ' HA ' ' HB3' ' A' ' 29' ' ' LYS . 42.0 ttm -60.15 -45.05 94.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.515 . . . . 1.35 110.856 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.26 -51.55 36.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.349 -0.387 . . . . 1.17 111.655 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.3 p -66.57 -44.92 80.99 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.434 0.531 . . . . 1.45 112.434 -173.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.57 1.82 24.56 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.318 0.58 . . . . 2.5 110.739 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 m120 65.4 21.4 11.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.65 -0.705 . . . . 2.34 110.129 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.821 ' HB3' ' HA ' ' A' ' 24' ' ' MET . 81.2 tttt -63.85 -31.97 73.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.993 -1.003 . . . . 3.29 110.191 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.766 ' HB ' ' HG2' ' A' ' 24' ' ' MET . 4.2 tt -60.56 100.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.687 0.756 . . . . 0.81 111.439 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 29.5 m-80 -75.01 157.37 35.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.731 -0.84 . . . . 2.15 108.731 174.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.1 77.34 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 111.619 0.229 . . . . 1.0 111.619 -174.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.81 -33.89 73.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.979 0.418 . . . . 1.24 111.131 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' A' ' 30' ' ' ILE . 2.1 p-10 -110.48 14.28 22.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 1.45 111.062 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.527 ' HA ' HD11 ' A' ' 30' ' ' ILE . 21.8 t -70.61 -21.74 62.62 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.644 -1.243 . . . . 1.07 107.644 171.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.416 ' CH2' ' HB ' ' A' ' 79' ' ' VAL . 62.9 m95 -79.18 152.54 30.62 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 114.306 -1.315 . . . . 0.9 109.824 175.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 90.0 m-20 69.94 1.35 3.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.018 -0.992 . . . . 2.37 111.698 -175.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.824 ' HB3' HD11 ' A' ' 71' ' ' ILE . 10.6 m-85 -106.35 96.94 6.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.018 0.437 . . . . 1.61 111.073 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.96 121.54 19.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.062 -0.517 . . . . 1.04 109.981 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD23 HG21 ' A' ' 71' ' ' ILE . 4.0 mm? -69.47 -16.55 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.375 -0.375 . . . . 1.62 111.853 -175.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.065 HG21 ' HB3' ' A' ' 146' ' ' LYS . 40.8 mm -57.03 -29.82 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 1.81 111.217 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.67 -35.61 72.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.921 0.391 . . . . 2.45 110.342 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -75.28 -32.05 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 1.91 110.512 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.727 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 58.6 m-85 -68.98 -41.13 78.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.004 -0.544 . . . . 2.0 111.118 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -75.8 -23.58 55.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.175 0.512 . . . . 1.33 110.31 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.64 -60.65 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.53 -0.759 . . . . 2.94 110.913 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.662 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 57.3 mtt 59.2 28.69 18.08 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.711 0.634 . . . . 1.99 112.711 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -97.38 -34.05 11.19 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.699 -0.852 . . . . 3.73 108.699 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 tp -89.28 -45.93 9.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.319 -0.855 . . . . 2.19 110.921 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.68 -34.49 52.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.42 . . . . 3.39 111.383 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.8 ttpt -99.54 131.91 45.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.747 -0.464 . . . . 3.18 109.747 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -113.28 106.1 14.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.308 0.575 . . . . 2.55 109.919 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.83 -107.54 3.15 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.524 -0.762 . . . . 1.64 111.973 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -121.06 0.84 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.07 0.462 . . . . 2.87 110.552 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -125.16 135.11 52.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.746 -0.465 . . . . 1.64 109.746 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 12.0 p -95.57 131.56 42.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.319 0.58 . . . . 0.63 109.859 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.562 ' OD1' ' HB3' ' A' ' 59' ' ' GLN . 28.7 t-20 -77.34 101.93 6.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.43 -0.805 . . . . 2.33 109.246 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.718 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 88.8 m-85 -67.51 -9.65 44.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.535 -0.757 . . . . 0.82 111.204 -175.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.562 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 7.1 tt0 -71.43 -56.14 6.53 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.839 -0.8 . . . . 1.65 108.839 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -70.77 -28.06 64.39 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.023 -0.989 . . . . 2.25 109.79 177.361 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -65.36 -38.07 88.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 0.62 110.547 175.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.4 m -62.37 -44.35 96.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.869 0.366 . . . . 1.13 110.375 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.8 t -61.0 -44.14 97.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.99 110.513 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.1 m -68.25 -41.47 81.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 1.36 111.042 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 69' ' ' VAL . 52.6 tp -66.18 -43.65 86.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.52 110.77 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.04 -47.72 84.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.148 -0.478 . . . . 0.82 110.412 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.59 -33.21 83.83 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.56 111.954 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.553 ' HA ' HG22 ' A' ' 71' ' ' ILE . 49.6 t -63.61 -42.2 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.432 0.158 . . . . 1.16 110.746 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 65' ' ' LEU . 84.5 t -60.76 -41.92 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.064 0.459 . . . . 1.54 110.082 177.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.42 -47.61 72.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 2.91 111.388 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.824 HD11 ' HB3' ' A' ' 38' ' ' PHE . 18.2 tt -71.25 -34.26 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.753 0.311 . . . . 1.22 111.1 -176.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.472 ' OH ' ' HB2' ' A' ' 144' ' ' LYS . 71.3 t80 -59.74 -46.38 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.044 0.45 . . . . 0.86 110.415 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.45 HG21 ' HD2' ' A' ' 185' ' ' LYS . 6.5 p -75.37 -25.32 57.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.721 -0.672 . . . . 0.65 111.598 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.0 m -64.79 -34.99 79.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.136 0.493 . . . . 1.3 109.848 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 71' ' ' ILE . 65.4 mtp180 -65.51 -42.38 92.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.817 -0.629 . . . . 1.69 109.533 174.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.631 HG22 HG11 ' A' ' 140' ' ' VAL . 62.0 t -57.86 -41.3 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.352 -0.84 . . . . 0.78 110.457 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.1 -31.96 71.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.984 -0.553 . . . . 1.87 110.452 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.8 t -66.37 -48.94 68.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.08 -0.509 . . . . 1.25 111.12 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.416 ' HB ' ' CH2' ' A' ' 36' ' ' TRP . 5.6 p -67.44 -34.05 66.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 1.4 110.834 -178.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HB2' ' CD1' ' A' ' 192' ' ' ILE . . . -63.63 -44.96 92.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 1.45 110.797 176.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 m -61.66 -40.62 95.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 1.96 109.989 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -68.08 -33.34 74.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.511 -0.768 . . . . 2.42 110.214 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.7 m -69.08 -33.97 74.38 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.111 -0.495 . . . . 3.15 110.578 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.06 -29.23 70.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.142 -0.551 . . . . 4.2 112.138 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.53 -34.73 77.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.673 0.273 . . . . 4.88 110.489 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.433 HD11 ' HG ' ' A' ' 133' ' ' LEU . 80.8 mt -66.49 -45.66 78.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.177 0.513 . . . . 5.71 109.634 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.5 tp -62.41 -44.73 95.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.403 -0.817 . . . . 6.68 110.609 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.5 t -56.79 -41.94 78.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 8.18 110.411 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.49 87.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.914 -0.66 . . . . 8.78 112.152 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.92 -36.13 76.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.083 0.468 . . . . 8.69 110.97 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.98 50.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 10.13 111.267 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -71.49 -42.85 67.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.405 -0.361 . . . . 12.11 111.1 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.5 m -72.87 -11.64 60.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 11.17 111.666 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -75.8 -37.14 59.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.113 0.482 . . . . 11.37 109.885 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -83.56 105.09 14.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.755 -0.657 . . . . 13.64 110.537 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.4 t -86.73 127.36 34.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.584 -0.734 . . . . 13.75 109.208 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -104.53 80.44 1.68 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.015 0.436 . . . . 16.1 110.81 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -167.79 120.1 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.701 -0.682 . . . . 14.61 110.512 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -83.79 92.94 7.86 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.079 -0.711 . . . . 16.89 109.079 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -63.91 114.39 4.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.608 -0.724 . . . . 14.47 111.309 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -74.51 -30.13 61.68 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.989 -0.745 . . . . 17.73 108.989 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.87 144.77 51.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.64 -1.163 . . . . 14.83 108.755 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.29 143.53 52.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.809 0.338 . . . . 16.07 110.614 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.83 0.39 78.0 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.193 -0.527 . . . . 14.74 112.924 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -95.97 -146.77 21.54 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.693 -0.765 . . . . 15.53 111.833 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.69 -11.3 72.52 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.919 -0.658 . . . . 15.58 112.645 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.4 t 66.0 -76.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 123.386 0.675 . . . . 15.74 111.048 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.89 -121.39 0.56 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.972 -0.632 . . . . 16.77 111.866 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 142.33 -77.47 0.29 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.134 -0.786 . . . . 17.08 111.134 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.7 p -116.82 -6.14 11.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.343 0.592 . . . . 17.9 110.229 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.9 mt -115.41 -174.7 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.616 -0.72 . . . . 16.88 110.474 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -74.4 174.01 9.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.205 -0.452 . . . . 15.45 110.464 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -89.94 143.84 26.44 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.006 -0.368 . . . . 17.68 110.006 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.534 ' H ' ' HD2' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -85.34 -170.58 3.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.468 -0.333 . . . . 14.48 110.27 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.7 mt -48.66 127.52 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.335 0.588 . . . . 11.8 111.252 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.95 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . 18.7 m120 -71.47 143.56 87.89 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.0 -1.0 . . . . 11.37 111.34 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.79 -23.16 74.39 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.836 2.357 . . . . 10.68 112.076 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.95 ' HD3' ' HB3' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -72.15 -5.31 34.7 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 118.69 -0.671 . . . . 10.74 111.411 176.371 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.639 ' HB ' ' O ' ' A' ' 116' ' ' ASN . 1.0 OUTLIER -51.4 -15.39 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 124.221 0.951 . . . . 8.53 112.668 -175.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.492 ' HG2' HD12 ' A' ' 123' ' ' ILE . 2.6 mtm -48.46 -24.52 1.3 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 124.132 0.973 . . . . 8.74 112.462 172.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.521 ' HB2' HD23 ' A' ' 215' ' ' LEU . 8.1 p30 -60.72 -32.71 71.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.07 -0.514 . . . . 7.33 111.324 177.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.0 ttt -62.63 -33.45 75.05 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.308 0.575 . . . . 7.24 110.597 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.658 HG21 ' HG ' ' A' ' 207' ' ' LEU . 78.6 mt -51.12 -23.28 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 114.849 -1.069 . . . . 5.24 112.44 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -44.61 -28.78 0.64 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.9 0.704 . . . . 4.69 112.9 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.0 t -52.26 -30.83 29.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.713 0.405 . . . . 4.02 111.6 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.808 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 35.8 m -55.27 -38.08 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 111.858 0.318 . . . . 3.81 111.858 -177.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 131' ' ' MET . 53.6 mt-10 -72.95 -29.51 63.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.855 0.36 . . . . 4.32 111.217 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -62.76 -47.64 82.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.938 -0.573 . . . . 4.42 110.273 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.808 ' HE3' ' HA ' ' A' ' 126' ' ' VAL . 22.0 pttp -71.51 -27.3 63.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 4.65 111.287 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -71.41 -32.18 68.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.485 -0.325 . . . . 3.16 111.44 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 88.4 mmm -55.95 -38.89 70.95 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.221 0.452 . . . . 3.28 112.221 -176.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.6 p -64.33 -40.85 96.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.106 0.479 . . . . 1.58 110.408 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.433 ' HG ' HD11 ' A' ' 86' ' ' LEU . 4.5 mm? -60.2 -51.2 70.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.668 -0.696 . . . . 1.83 110.975 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -62.59 -39.96 95.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.083 -0.508 . . . . 3.67 110.168 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -61.73 -43.77 98.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 1.73 110.797 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.478 ' O ' HG23 ' A' ' 140' ' ' VAL . 73.9 mtm -65.99 -39.68 90.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.76 -0.2 . . . . 1.05 110.693 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 82.7 mmm -59.54 -44.87 93.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.01 0.433 . . . . 1.44 110.528 174.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -63.95 -34.98 79.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.627 . . . . 3.44 110.464 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 52.7 m -65.9 -44.27 85.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.732 -0.667 . . . . 1.16 110.446 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.631 HG11 HG22 ' A' ' 76' ' ' VAL . 79.6 t -57.04 -47.9 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 1.15 110.75 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.509 HD21 HD21 ' A' ' 189' ' ' LEU . 54.3 mt -67.56 -33.45 75.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.281 -0.418 . . . . 1.45 110.702 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.729 ' HG2' ' HE3' ' A' ' 146' ' ' LYS . 40.6 ttmt -60.57 -45.9 92.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 3.01 109.901 175.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.901 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 63.6 m-20 -66.76 -28.43 68.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 1.64 111.428 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.472 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 39.9 ttmt -61.46 -36.7 81.15 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.562 -0.533 . . . . 1.8 109.562 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.468 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 35.4 m80 -63.97 -36.78 85.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.84 110.418 175.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 1.065 ' HB3' HG21 ' A' ' 41' ' ' ILE . 1.4 mptm? -62.24 -35.84 80.16 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.986 0.422 . . . . 2.66 110.46 174.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.53 HG12 HD11 ' A' ' 41' ' ' ILE . 69.8 mt -63.02 -43.06 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.59 110.554 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.95 -43.91 98.02 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.308 -0.405 . . . . 2.39 110.458 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 38.2 mt-10 -58.61 -39.11 79.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 121.252 0.548 . . . . 2.47 110.104 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 44' ' ' PHE . 61.3 m -68.17 -52.83 30.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.411 -0.813 . . . . 0.71 111.352 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 147' ' ' ILE . 51.0 mm -58.9 -42.95 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.403 . . . . 1.05 110.382 -178.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 156' ' ' GLU . . . -59.71 -53.52 57.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.758 -0.655 . . . . 0.49 110.888 177.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 56.7 m -61.8 -43.75 98.22 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.489 -0.323 . . . . 0.54 111.6 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 7.9 mp -62.94 -36.9 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 1.37 111.023 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.531 ' HA ' ' HD3' ' A' ' 158' ' ' LYS . 18.2 t70 -74.7 -25.12 58.93 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.826 -0.349 . . . . 0.78 110.367 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 152' ' ' ALA . 24.6 mm-40 -68.82 -31.15 69.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 2.52 110.402 175.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.407 ' HB2' ' HZ ' ' A' ' 58' ' ' PHE . 22.0 m-85 -63.3 -40.09 96.38 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.675 -0.491 . . . . 0.92 109.675 172.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.664 ' HD2' ' HD2' ' A' ' 171' ' ' PHE . 8.1 mtpm? -64.36 -35.19 80.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.685 -0.689 . . . . 1.93 110.106 174.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -65.64 -49.63 67.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.274 -0.876 . . . . 3.78 110.928 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -75.75 -34.74 60.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 2.94 111.35 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.559 ' O ' HG21 ' A' ' 168' ' ' THR . . . -129.24 99.12 5.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.454 -0.339 . . . . 1.97 110.896 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 5.4 p -86.46 -61.72 1.68 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.017 0.436 . . . . 3.67 110.535 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -78.39 118.9 5.02 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.91 -0.662 . . . . 3.19 111.779 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 173.38 -173.36 45.7 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.757 -0.735 . . . . 2.95 111.998 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 43.1 m -106.11 11.52 31.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.828 0.346 . . . . 3.61 110.934 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 3.62 111.015 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 103.7 28.77 5.84 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.972 -0.633 . . . . 1.32 111.569 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.559 HG21 ' O ' ' A' ' 161' ' ' ALA . 18.9 p -56.36 -49.64 73.82 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.906 0.483 . . . . 1.5 112.274 -176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -71.85 -31.33 66.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.146 0.498 . . . . 3.65 110.745 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 47.2 ttp -71.04 -34.66 71.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.062 -0.517 . . . . 1.37 110.024 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.665 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 83.4 t80 -67.53 -27.92 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.9 110.6 176.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.13 -46.6 80.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.075 0.464 . . . . 2.38 110.035 176.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.3 -39.15 89.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 2.29 110.501 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -69.68 -37.78 76.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.73 -0.668 . . . . 3.45 110.596 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -55.76 -54.95 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 1.22 111.04 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.37 -37.3 85.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 1.35 111.671 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.83 -41.69 71.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 2.03 110.989 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -66.66 -49.67 65.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.91 111.175 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.83 -31.75 72.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.64 -0.254 . . . . 1.63 111.065 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -69.5 -45.71 68.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.477 -0.329 . . . . 3.14 110.896 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 7.2 t -73.31 -28.9 62.35 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.072 0.463 . . . . 1.29 109.955 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 25.3 ttt -65.47 -47.98 74.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.042 -0.526 . . . . 0.66 110.124 175.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -66.6 -29.94 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.045 -0.525 . . . . 0.71 111.701 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 181' ' ' THR . 6.6 pttp -72.76 -44.55 61.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.458 0.647 . . . . 2.83 109.795 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 188' ' ' LYS . 20.4 ttmm -78.24 -8.47 58.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.361 -0.836 . . . . 2.06 110.519 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 27.4 t70 -69.44 -27.71 65.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.43 -0.804 . . . . 1.16 110.752 177.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 91.8 mt -53.04 -45.79 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 2.35 111.635 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . 0.537 ' O ' HG13 ' A' ' 192' ' ' ILE . 21.9 ptmt -68.9 -28.92 67.12 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 121.036 -0.265 . . . . 2.76 110.751 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.509 HD21 HD21 ' A' ' 141' ' ' LEU . 7.1 tt -65.61 -50.26 65.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.402 -0.592 . . . . 1.24 109.402 177.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -19.24 62.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.719 -0.673 . . . . 2.24 110.724 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 195' ' ' LEU . 5.9 tp10 -65.81 -45.5 82.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.139 -0.689 . . . . 2.86 109.139 174.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' ILE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 80' ' ' ALA . 58.8 mt -59.3 -51.31 74.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.608 -0.724 . . . . 1.24 110.971 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 24.6 p -58.97 -37.97 78.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.931 0.396 . . . . 1.75 110.851 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.01 -52.55 34.36 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.899 -0.591 . . . . 3.84 110.497 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 191' ' ' GLU . 74.0 mt -61.72 -43.15 99.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.499 -0.319 . . . . 3.54 111.457 -176.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.19 -46.15 90.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.864 0.364 . . . . 3.31 110.537 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' ARG . . . . . 0.434 ' O ' ' HD3' ' A' ' 202' ' ' PRO . 40.8 ttp180 -81.05 -32.96 33.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.907 -0.588 . . . . 6.05 111.999 -174.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 202' ' ' PRO . 26.9 t70 -91.09 -34.74 14.95 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.374 0.509 . . . . 4.3 112.374 -174.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -98.49 -60.74 1.49 Allowed 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.728 -0.389 . . . . 5.29 111.264 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 58.8 mt -74.6 -48.33 35.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 3.27 111.882 -172.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.487 ' HB3' ' HD3' ' A' ' 202' ' ' PRO . 34.9 tt0 -54.01 -51.2 79.31 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 113.056 0.762 . . . . 6.5 113.056 -175.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 201' ' ' GLU . 48.1 Cg_exo -58.18 -33.67 97.74 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 121.711 1.607 . . . . 6.81 112.499 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.02 -46.23 53.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 6.75 110.212 178.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 126' ' ' VAL . 0.2 OUTLIER -66.58 -35.58 80.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.643 -0.708 . . . . 6.12 110.179 -178.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.23 -29.7 58.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.497 -0.774 . . . . 9.31 111.167 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.716 ' O ' ' HG2' ' A' ' 210' ' ' GLU . 39.1 tttp -64.38 -56.49 14.02 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.359 -0.382 . . . . 10.45 109.997 175.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.658 ' HG ' HG21 ' A' ' 123' ' ' ILE . 2.6 mm? -59.19 -27.9 66.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 7.6 110.739 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.979 ' HA ' ' HE3' ' A' ' 211' ' ' LYS . 25.9 ttt180 -67.91 -43.91 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.006 -0.543 . . . . 9.48 110.411 176.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.47 -44.13 71.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.781 -0.645 . . . . 12.83 111.824 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . 0.716 ' HG2' ' O ' ' A' ' 206' ' ' LYS . 5.3 mm-40 -56.48 -29.66 62.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.492 -0.776 . . . . 10.85 112.697 -171.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' LYS . . . . . 0.979 ' HE3' ' HA ' ' A' ' 208' ' ' ARG . 80.0 mttt -55.63 -37.52 68.3 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.035 0.754 . . . . 10.09 113.035 -169.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.422 ' HA ' ' HD3' ' A' ' 212' ' ' ARG . 28.4 mmt180 -48.65 -60.15 2.95 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.863 0.69 . . . . 12.5 112.863 -167.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -86.98 -23.59 25.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.098 0.475 . . . . 13.01 110.766 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 118' ' ' LYS . 5.2 m-30 -68.72 -27.32 65.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.982 -0.554 . . . . 13.47 112.352 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 211' ' ' LYS . 90.7 mt -47.76 -21.98 0.47 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.758 0.651 . . . . 11.97 112.758 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' ASP . . . . . 0.415 ' HA ' ' HB3' ' A' ' 219' ' ' GLN . 9.0 t70 -47.05 -36.44 8.05 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.294 0.638 . . . . 12.73 112.406 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . 0.449 ' HD1' ' HB2' ' A' ' 116' ' ' ASN . 34.9 t80 -50.75 -56.57 11.4 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.806 0.336 . . . . 13.81 111.389 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -90.09 -17.65 27.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.261 -0.427 . . . . 15.46 111.604 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . 0.415 ' HB3' ' HA ' ' A' ' 216' ' ' ASP . 26.5 tt0 -70.34 -36.99 74.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.104 -0.498 . . . . 15.41 111.581 -174.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 2.3 t -147.34 105.3 3.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.762 0.791 . . . . 17.57 110.853 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.932 0 CA-C-N 115.089 -0.959 . . . . 17.45 111.074 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.765 -0.534 . . . . 21.3 111.765 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 68.84 -70.99 0.12 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.311 0.644 . . . . 20.91 111.733 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 34.4 ttm -130.46 112.98 13.73 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.337 -0.245 . . . . 18.53 110.337 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -122.58 102.04 7.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.903 0.382 . . . . 17.71 110.517 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.0 166.51 11.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.999 -0.546 . . . . 14.57 109.998 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -85.52 102.05 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.914 0.387 . . . . 12.18 110.147 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.571 HG22 ' HG2' ' A' ' 9' ' ' MET . 5.1 m -75.07 131.5 78.56 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.205 -0.452 . . . . 9.93 110.355 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -79.93 42.84 1.39 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.841 3.027 . . . . 8.73 112.575 -175.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.571 ' HG2' HG22 ' A' ' 7' ' ' THR . 90.1 mmm -93.38 6.9 46.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.259 -0.428 . . . . 8.19 111.216 -178.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -92.81 97.37 10.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.177 0.513 . . . . 6.67 110.032 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -107.23 132.25 53.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.869 -0.605 . . . . 6.27 110.353 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 85.1 t -67.86 128.61 93.4 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.652 -0.499 . . . . 3.08 109.652 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 32.1 Cg_exo -61.48 91.79 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.688 2.258 . . . . 1.71 111.699 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 43' ' ' TYR . 21.6 mt -65.05 -37.65 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.663 -0.699 . . . . 2.27 111.256 -176.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 80.4 mt -61.45 -47.3 86.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.888 0.375 . . . . 2.13 110.151 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' ' 13' ' ' PRO . . . -66.94 -43.21 83.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.9 -0.591 . . . . 1.02 111.115 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -61.2 -40.12 92.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 2.23 110.909 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' O ' ' HG2' ' A' ' 22' ' ' MET . 83.7 t80 -65.39 -48.33 73.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.055 -0.52 . . . . 1.52 110.449 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 44.7 mt-10 -60.79 -36.87 80.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.276 -0.42 . . . . 2.43 110.748 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.74 -47.35 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 1.99 110.367 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.502 ' CE2' ' HB2' ' A' ' 38' ' ' PHE . 45.0 m0 -65.43 -38.91 91.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.028 -0.533 . . . . 1.14 111.016 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 28.9 mmt -61.15 -43.48 98.82 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.82 -0.437 . . . . 1.4 109.82 177.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.745 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.21 -39.28 89.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.645 -0.707 . . . . 3.34 110.235 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 80.0 mmm -58.38 -44.19 88.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.541 . . . . 1.35 110.806 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.64 72.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 1.17 111.733 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 p -71.99 -36.86 69.9 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.801 0.297 . . . . 1.45 111.801 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.89 -11.41 59.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.64 0.257 . . . . 2.5 110.524 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.1 t30 60.66 40.3 16.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.934 0.874 . . . . 2.34 109.903 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -83.56 -4.42 58.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.494 -0.776 . . . . 3.29 109.931 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.708 ' HA ' HD21 ' A' ' 34' ' ' ASN . 2.8 tt -78.22 83.63 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.917 0.865 . . . . 0.81 110.442 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -73.23 160.04 32.53 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.643 -0.873 . . . . 2.15 108.643 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.54 -14.05 62.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.107 0.41 . . . . 1.0 112.107 -173.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.35 -34.47 55.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.011 0.434 . . . . 1.24 110.604 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.708 HD21 ' HA ' ' A' ' 30' ' ' ILE . 1.9 p-10 -111.83 13.18 20.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 1.45 111.714 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.45 ' HA ' HG13 ' A' ' 30' ' ' ILE . 6.5 p -72.06 -20.99 61.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.566 0.698 . . . . 1.07 109.23 174.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.473 ' CZ2' ' HB2' ' A' ' 78' ' ' SER . 19.2 m95 -78.49 177.38 8.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.983 -1.008 . . . . 0.9 109.242 171.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.1 0.4 1.25 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.874 1.064 . . . . 2.37 113.874 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.502 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 5.0 p90 -150.11 132.88 15.96 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.682 -0.636 . . . . 1.61 110.314 166.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.617 ' HB1' HG22 ' A' ' 41' ' ' ILE . . . -133.78 123.26 24.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.832 -0.622 . . . . 1.04 110.808 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 mt -69.31 -23.24 63.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.253 -0.431 . . . . 1.62 110.567 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.617 HG22 ' HB1' ' A' ' 39' ' ' ALA . 10.0 tp -59.27 -29.15 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.662 -0.699 . . . . 1.81 111.395 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.74 -42.51 93.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 2.45 110.637 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 14' ' ' ILE . 94.6 m-85 -84.43 -28.14 27.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.917 -0.583 . . . . 1.91 111.168 177.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CE2' ' HB ' ' A' ' 150' ' ' THR . 21.5 t80 -67.64 -32.23 72.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.866 -0.606 . . . . 2.0 109.849 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -64.52 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.76 -0.655 . . . . 1.33 111.741 -177.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -103.04 116.69 33.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.809 0.814 . . . . 2.94 109.56 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.563 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 67.9 mtm -90.25 81.01 6.13 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.615 -0.721 . . . . 1.99 111.16 -173.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 t -93.09 -28.92 16.05 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.44 -0.578 . . . . 3.73 109.44 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD12 HG22 ' A' ' 14' ' ' ILE . 10.5 tt -89.75 -45.41 9.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 2.19 111.688 -175.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.39 -3.67 43.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 3.39 111.875 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HB3' ' O ' ' A' ' 47' ' ' MET . 29.0 ttpp -109.64 132.67 53.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.998 -0.371 . . . . 3.18 109.998 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -107.63 106.62 17.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.332 -0.618 . . . . 2.55 109.332 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.44 -105.75 1.73 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.567 -0.825 . . . . 1.64 111.676 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -121.44 15.09 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.865 0.364 . . . . 2.87 110.423 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 m -130.96 130.62 43.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.07 -0.514 . . . . 1.64 109.646 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 1.6 p -95.05 132.6 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-O 120.896 0.379 . . . . 0.63 110.345 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -63.43 102.37 0.41 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.344 -0.984 . . . . 2.33 108.344 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.851 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 71.7 m-85 -67.66 -8.35 34.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.791 0.329 . . . . 0.82 111.606 -174.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -70.39 -46.31 64.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.478 -0.934 . . . . 1.65 108.478 171.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -76.11 -33.98 59.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.095 -0.957 . . . . 2.25 110.186 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.716 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -55.9 -44.42 78.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.187 0.517 . . . . 0.62 110.616 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.672 ' HB3' ' HG2' ' A' ' 174' ' ' ARG . 45.6 m -68.92 -44.37 73.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 1.13 111.122 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 84.8 m -66.5 -37.25 84.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.475 -0.33 . . . . 0.99 111.751 -177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -70.12 -43.6 70.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.788 -0.187 . . . . 1.36 110.838 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.0 -46.45 90.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.019 0.438 . . . . 1.52 110.309 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.42 -40.02 92.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.564 -0.744 . . . . 0.82 110.744 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.55 -39.54 86.71 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.92 -0.657 . . . . 0.56 112.198 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' HA ' HG22 ' A' ' 71' ' ' ILE . 86.3 m -63.59 -42.31 98.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.588 0.218 . . . . 1.16 111.588 -178.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.75 -36.63 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.359 -0.537 . . . . 1.54 110.568 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.67 -50.81 63.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.467 -0.333 . . . . 2.91 111.393 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 30' ' ' ILE . 12.6 tt -68.35 -34.21 64.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.683 -0.235 . . . . 1.22 110.709 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 144' ' ' LYS . 87.3 t80 -55.35 -56.46 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.86 110.625 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.585 HG21 ' HB2' ' A' ' 185' ' ' LYS . 17.5 p -70.62 -25.79 63.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.302 -0.408 . . . . 0.65 111.613 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.1 t -63.44 -40.16 96.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.537 0.684 . . . . 1.3 109.342 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 79' ' ' VAL . 40.3 mtp180 -67.9 -30.34 69.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.407 -0.815 . . . . 1.69 109.972 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 72' ' ' TYR . 97.8 t -66.45 -37.11 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.273 -0.421 . . . . 0.78 110.485 175.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.23 -38.27 76.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.148 0.499 . . . . 1.87 109.915 174.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.473 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 7.8 m -62.27 -47.93 82.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.679 -0.691 . . . . 1.25 110.536 173.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 75' ' ' ARG . 3.5 t -62.43 -25.09 36.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-N 115.902 -0.59 . . . . 1.4 110.944 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HA ' HG13 ' A' ' 192' ' ' ILE . . . -57.53 -36.86 72.14 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.678 0.275 . . . . 1.45 111.368 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -76.53 -41.48 46.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.124 0.964 . . . . 1.96 109.672 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.955 ' HA ' ' HE2' ' A' ' 85' ' ' LYS . 7.5 mm-40 -68.81 -12.0 61.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.192 -1.367 . . . . 2.42 111.886 -177.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.542 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 27.1 m -51.78 -37.55 51.89 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 122.91 0.484 . . . . 3.15 111.887 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 206' ' ' LYS . . . -62.19 -47.28 90.89 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.068 -1.063 . . . . 4.2 111.506 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.955 ' HE2' ' HA ' ' A' ' 82' ' ' GLU . 2.9 mppt? -57.79 -26.64 62.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.263 -0.468 . . . . 4.88 111.828 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.718 HD23 ' HB3' ' A' ' 133' ' ' LEU . 77.8 mt -53.29 -22.95 7.89 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.92 0.711 . . . . 5.71 112.92 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.615 ' CD1' ' HB3' ' A' ' 206' ' ' LYS . 17.3 mt -49.8 -26.0 3.56 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.122 0.786 . . . . 6.68 113.122 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 131' ' ' MET . 41.6 p -56.98 -32.76 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 8.18 111.062 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.46 94.06 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.365 -0.694 . . . . 8.78 111.365 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 7.8 mp -74.14 -44.37 53.96 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.978 -0.378 . . . . 8.69 109.978 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.36 74.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 10.13 111.424 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.46 -41.17 93.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.386 -0.37 . . . . 12.11 110.656 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.7 m -71.31 -30.65 66.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.229 -0.441 . . . . 11.17 110.917 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 90' ' ' LEU . 23.9 mmt180 -76.46 -16.49 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.224 -0.288 . . . . 11.37 110.224 177.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.2 t70 57.99 70.29 0.66 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.757 0.789 . . . . 13.64 110.335 -175.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.4 t -151.51 146.63 26.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.248 -0.887 . . . . 13.75 109.441 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -102.06 105.67 16.44 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.3 -0.63 . . . . 16.1 109.3 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -74.62 -29.31 61.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.887 0.375 . . . . 14.61 110.327 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -76.08 166.76 23.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 16.89 110.095 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -77.26 165.72 24.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.828 0.347 . . . . 14.47 110.626 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -76.54 -7.26 54.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.851 0.358 . . . . 17.73 111.38 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -126.83 123.05 36.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.131 0.491 . . . . 14.83 110.779 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -87.15 111.73 21.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.695 -0.684 . . . . 16.07 110.16 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.96 147.38 21.8 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.672 -0.775 . . . . 14.74 112.413 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.57 44.18 0.81 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.564 -0.614 . . . . 15.53 111.564 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -119.49 15.37 10.68 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.666 -0.778 . . . . 15.58 112.527 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.3 m -78.35 104.66 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.919 0.39 . . . . 15.74 110.356 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.94 -40.69 98.75 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.998 -0.546 . . . . 16.77 112.219 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.92 -154.42 21.53 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.639 -0.791 . . . . 17.08 112.423 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.1 t -134.67 104.77 6.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.854 0.359 . . . . 17.9 110.372 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 pp -85.1 -14.62 46.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.348 0.594 . . . . 16.88 110.049 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.58 ' HB2' HD21 ' A' ' 116' ' ' ASN . 53.4 mtt180 -76.48 118.61 19.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.553 -0.749 . . . . 15.45 109.39 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.24 -35.87 66.33 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 111.819 0.303 . . . . 17.68 111.819 -172.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.437 ' HD3' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -81.36 -174.28 4.83 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.883 0.373 . . . . 14.48 110.701 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.9 mt -59.61 125.86 16.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.77 -0.65 . . . . 11.8 111.133 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.58 HD21 ' HB2' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -91.07 151.05 42.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.322 -0.399 . . . . 11.37 110.458 178.117 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -69.08 -34.42 16.89 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.435 2.09 . . . . 10.68 110.561 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -81.1 9.77 6.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.017 -0.992 . . . . 10.74 111.642 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 116' ' ' ASN . 9.5 p -51.23 -24.25 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 122.891 0.476 . . . . 8.53 112.052 -176.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -56.79 -21.15 26.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.907 -0.588 . . . . 8.74 111.81 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 124' ' ' ASP . 24.0 m-80 -64.17 -28.64 69.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.985 0.421 . . . . 7.33 110.807 177.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.56 -35.29 78.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.209 -0.663 . . . . 7.24 109.209 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.445 ' O ' ' HB ' ' A' ' 126' ' ' VAL . 6.7 mt -65.7 -30.2 49.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.644 -0.707 . . . . 5.24 110.64 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 10.6 t70 -57.29 -39.28 75.4 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.062 0.458 . . . . 4.69 109.878 172.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.4 m -67.24 -33.91 76.34 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.091 -0.504 . . . . 4.02 110.4 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 207' ' ' LEU . 95.6 t -61.01 -33.53 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.19 0.519 . . . . 3.81 110.529 176.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 130' ' ' GLU . 5.5 mm-40 -67.0 -42.0 85.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.669 -0.696 . . . . 4.32 110.388 176.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 124' ' ' ASP . 27.5 mmtp -72.88 -45.22 59.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.723 -0.671 . . . . 4.42 111.909 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -62.05 -27.99 69.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.381 -0.827 . . . . 4.65 112.837 -171.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 14.7 pt-20 -55.14 -36.76 66.13 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.907 0.706 . . . . 3.16 112.907 -171.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.474 ' HA ' ' CB ' ' A' ' 88' ' ' SER . 64.7 mtt -63.47 -26.35 68.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.737 0.643 . . . . 3.28 112.737 -171.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -63.52 -33.55 75.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.166 0.508 . . . . 1.58 109.756 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.718 ' HB3' HD23 ' A' ' 86' ' ' LEU . 2.0 mm? -69.51 -33.4 72.77 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 113.434 0.901 . . . . 1.83 113.434 -174.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.21 -45.28 79.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.559 0.695 . . . . 3.67 109.195 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -68.72 -47.72 65.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.918 -1.037 . . . . 1.73 111.224 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.452 ' O ' ' HB ' ' A' ' 139' ' ' THR . 38.2 ttp -70.11 -38.21 75.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.335 0.494 . . . . 1.05 112.335 -172.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -43.39 88.51 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.181 -0.674 . . . . 1.44 109.181 176.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.59 -34.94 73.38 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.624 -0.51 . . . . 3.44 109.624 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 143' ' ' ASP . 91.5 m -61.77 -46.76 88.2 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 115.885 -0.598 . . . . 1.16 110.567 174.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 136' ' ' MET . 63.1 t -63.59 -49.51 82.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.55 -0.296 . . . . 1.15 111.597 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.74 -44.99 95.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.959 0.409 . . . . 1.45 110.797 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.424 ' HG3' ' HD3' ' A' ' 146' ' ' LYS . 22.9 tptm -66.75 -28.51 68.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.026 -0.534 . . . . 3.01 110.138 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 139' ' ' THR . 0.8 OUTLIER -62.69 -41.27 99.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.82 -0.627 . . . . 1.64 109.813 178.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 87.0 tttt -60.38 -44.38 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.46 -0.791 . . . . 1.8 110.112 176.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -66.42 -33.02 74.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.84 110.495 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.424 ' HD3' ' HG3' ' A' ' 142' ' ' LYS . 4.5 mptp? -65.61 -41.87 92.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.897 -0.592 . . . . 2.66 110.599 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.542 ' O ' HG13 ' A' ' 151' ' ' ILE . 72.5 mt -58.3 -44.18 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.59 109.756 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 144' ' ' LYS . 35.7 mt-10 -61.48 -32.31 72.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.851 -0.613 . . . . 2.39 111.545 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.94 -52.37 65.3 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.069 0.462 . . . . 2.47 110.221 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.487 ' HB ' ' CE2' ' A' ' 44' ' ' PHE . 61.8 m -66.24 -37.83 86.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.84 -0.618 . . . . 0.71 111.321 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 147' ' ' ILE . 80.9 mt -55.44 -45.5 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.843 0.354 . . . . 1.05 110.203 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.5 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.815 -0.63 . . . . 0.49 110.764 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 156' ' ' GLU . 55.5 m -60.1 -41.03 91.68 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.241 -0.436 . . . . 0.54 111.523 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.556 HD11 ' SD ' ' A' ' 47' ' ' MET . 4.8 mp -65.22 -42.0 93.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.699 0.285 . . . . 1.37 111.343 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -68.53 -30.71 69.57 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.574 -0.528 . . . . 0.78 109.574 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 153' ' ' THR . 5.5 mm-40 -59.61 -43.93 93.59 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.744 -0.662 . . . . 2.52 110.731 174.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.473 ' HB3' ' HZ ' ' A' ' 58' ' ' PHE . 63.2 m-85 -58.47 -44.69 89.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.047 0.451 . . . . 0.92 110.338 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.615 ' HG3' ' HB ' ' A' ' 168' ' ' THR . 28.0 ttpp -67.01 -27.48 67.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 1.93 111.471 -177.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -87.88 -37.35 16.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.887 0.375 . . . . 3.78 110.807 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 14.2 mptt -67.55 -46.71 71.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.156 -0.475 . . . . 2.94 110.749 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.18 122.44 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.001 0.429 . . . . 1.97 110.74 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 19.5 m -75.36 -37.49 60.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 3.67 111.26 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -99.25 -46.31 2.04 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.863 -0.684 . . . . 3.19 112.037 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 70.43 63.19 3.33 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.033 -0.603 . . . . 2.95 112.885 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 25.7 t -81.35 -7.03 59.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.895 0.379 . . . . 3.61 110.769 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -84.65 5.34 28.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.486 -0.324 . . . . 3.62 111.698 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 94.92 39.21 4.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.663 -0.78 . . . . 1.32 112.589 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.615 ' HB ' ' HG3' ' A' ' 158' ' ' LYS . 9.3 p -62.49 -40.98 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.784 0.325 . . . . 1.5 111.557 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -64.86 -44.06 90.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 3.65 110.787 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -62.11 -47.49 84.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.931 -0.577 . . . . 1.37 109.965 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.851 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 71.0 t80 -60.75 -40.49 92.62 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.9 111.08 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.606 ' HB2' ' HD2' ' A' ' 158' ' ' LYS . 36.5 tt0 -61.25 -43.88 98.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.809 0.338 . . . . 2.38 110.801 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.56 -35.3 78.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.932 -0.577 . . . . 2.29 110.622 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.672 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 8.3 tpt180 -75.07 -39.99 60.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.356 -0.384 . . . . 3.45 110.819 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.566 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 32.9 ttpt -57.71 -53.86 53.43 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.406 -0.361 . . . . 1.22 111.062 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 6.7 pt-20 -53.14 -44.37 67.69 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.306 -0.407 . . . . 1.35 111.167 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -74.63 -35.19 62.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.664 0.269 . . . . 2.03 111.195 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.19 97.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.444 -0.344 . . . . 0.91 110.349 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 83.4 mt -65.01 -40.94 95.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.543 . . . . 1.63 110.23 177.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 176' ' ' GLU . 66.7 mttm -61.42 -47.57 85.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 3.14 110.516 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . 0.532 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 49.9 m -60.83 -44.1 97.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 1.29 110.746 177.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.4 ttt -60.9 -40.27 92.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.66 110.67 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.99 76.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.71 111.305 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 180' ' ' LYS . 8.5 mtpm? -68.39 -48.2 65.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.966 0.412 . . . . 2.83 110.72 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.585 ' HB2' HG21 ' A' ' 73' ' ' THR . 13.9 ptpt -77.7 -7.49 56.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.349 -0.387 . . . . 2.06 111.702 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -66.19 -33.14 75.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.37 -0.377 . . . . 1.16 110.951 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 4.7 pp -65.15 -23.49 67.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 2.35 111.043 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -65.51 -44.53 86.69 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.722 -0.473 . . . . 2.76 109.722 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.94 -44.22 94.49 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.785 -0.643 . . . . 1.24 109.912 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -57.55 -41.73 81.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.508 -0.769 . . . . 2.24 110.587 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.94 -40.95 97.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.033 -0.531 . . . . 2.86 111.264 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' ILE . . . . . 0.568 HG13 ' HA ' ' A' ' 80' ' ' ALA . 1.7 mp -56.99 -51.85 63.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.844 0.354 . . . . 1.24 110.359 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 196' ' ' LEU . 16.3 p -70.55 -29.29 65.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 1.75 111.536 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.25 -53.05 62.34 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.345 -0.388 . . . . 3.84 110.809 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.57 -36.75 74.44 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.912 -0.586 . . . . 3.54 110.627 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.521 ' HA ' ' HB ' ' A' ' 200' ' ' ILE . 51.0 tp -56.72 -45.71 81.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.232 -0.894 . . . . 3.31 111.561 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 193' ' ' THR . 51.2 mtt180 -72.27 -38.19 68.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.322 -0.399 . . . . 6.05 112.019 -173.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -90.14 -59.22 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.626 0.602 . . . . 4.3 112.626 -171.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.45 -54.24 3.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.869 0.366 . . . . 5.29 111.633 -168.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 1.082 HG23 ' HA ' ' A' ' 206' ' ' LYS . 10.1 mt -64.29 -24.18 35.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.367 -0.833 . . . . 3.27 112.649 -174.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -43.96 -65.01 0.65 Allowed Pre-proline 0 CA--C 1.552 1.025 0 N-CA-C 117.186 2.291 . . . . 6.5 117.186 -165.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' PRO . . . . . 0.508 ' HD2' ' HB2' ' A' ' 205' ' ' GLU . 43.9 Cg_endo -73.19 -72.21 0.02 OUTLIER 'Trans proline' 0 CA--C 1.545 1.041 0 N-CA-C 119.545 2.864 . . . . 6.81 119.545 -153.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -114.72 -86.69 0.59 Allowed 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.898 1.681 . . . . 6.75 114.459 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.57 -22.6 32.3 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 114.177 -1.374 . . . . 6.12 110.147 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.508 ' HB2' ' HD2' ' A' ' 202' ' ' PRO . 7.6 mp0 -51.36 -24.68 4.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.135 -0.938 . . . . 9.31 111.568 -170.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 1.082 ' HA ' HG23 ' A' ' 200' ' ' ILE . 54.5 pttt -50.3 -48.54 55.08 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.188 0.44 . . . . 10.45 112.188 169.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.525 ' N ' ' HG3' ' A' ' 206' ' ' LYS . 15.2 tp -73.02 -24.25 60.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.189 -0.46 . . . . 7.6 110.798 -176.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.515 ' HA ' ' HB3' ' A' ' 211' ' ' LYS . 41.1 ttm180 -51.43 -31.57 23.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.96 -0.564 . . . . 9.48 111.877 -175.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -58.58 -45.66 88.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.43 0.633 . . . . 12.83 110.116 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.16 -28.02 35.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.574 -0.739 . . . . 10.85 109.755 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' LYS . . . . . 0.86 ' HA ' ' HB3' ' A' ' 214' ' ' PHE . 2.3 tmmm? -65.46 -17.51 64.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 10.09 110.397 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -55.25 -43.04 74.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.987 0.423 . . . . 12.5 110.193 173.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -85.89 -25.49 26.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.169 0.509 . . . . 13.01 110.446 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.86 ' HB3' ' HA ' ' A' ' 211' ' ' LYS . 89.6 t80 -64.27 -30.06 71.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.356 -0.838 . . . . 13.47 110.558 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 211' ' ' LYS . 78.1 mt -48.86 -56.76 7.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.757 -0.656 . . . . 11.97 111.77 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -79.94 -70.63 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.135 -0.626 . . . . 12.73 111.996 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -92.42 -85.18 0.26 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 112.851 0.685 . . . . 13.81 112.851 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . 0.463 ' C ' ' HA ' ' A' ' 214' ' ' PHE . 21.5 mm-40 -148.55 177.8 9.17 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.057 -0.52 . . . . 15.46 110.91 -174.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -66.67 -39.69 88.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.178 0.513 . . . . 15.41 109.682 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 10.3 t -137.16 146.19 44.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.758 -0.655 . . . . 17.57 109.965 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.723 -0.656 . . . . 17.45 110.362 -177.604 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.934 -0.466 . . . . 21.3 111.934 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -74.46 -27.31 60.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.729 0.299 . . . . 20.91 111.606 -177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.6 mmm -86.64 -22.76 25.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.591 -0.277 . . . . 18.53 110.947 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 4' ' ' ARG . 12.2 mmt180 71.0 150.39 0.09 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.954 0.784 . . . . 17.71 111.792 176.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.44 105.28 8.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.692 . . . . 14.57 110.524 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -78.04 133.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.104 -0.498 . . . . 12.18 109.721 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p -76.26 117.53 64.88 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.426 -0.352 . . . . 9.93 111.256 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.3 -36.1 88.95 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.797 2.331 . . . . 8.73 111.846 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -116.16 145.08 43.36 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.063 -0.972 . . . . 8.19 109.444 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 61.27 82.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.74 0.65 . . . . 6.67 110.728 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -96.46 169.31 9.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.635 -0.712 . . . . 6.27 110.179 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.4 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 4.0 p -100.06 117.09 63.91 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 121.108 0.48 . . . . 3.08 109.921 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 12' ' ' VAL . 32.3 Cg_endo -64.12 144.24 86.53 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.657 2.238 . . . . 1.71 111.767 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -63.21 -26.13 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.307 -0.406 . . . . 2.27 110.479 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.89 -44.89 67.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.469 -0.332 . . . . 2.13 111.012 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.32 -24.7 59.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 1.02 111.134 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -81.92 -42.76 19.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.066 -0.515 . . . . 2.23 110.143 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -66.54 -38.84 88.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 1.52 111.12 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.09 -27.91 69.09 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.872 0.368 . . . . 2.43 110.718 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.81 -36.91 76.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.514 -0.55 . . . . 1.99 109.514 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.422 ' HZ3' ' O ' ' A' ' 39' ' ' ALA . 21.7 m0 -66.23 -38.58 88.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.638 -0.71 . . . . 1.14 110.307 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -45.0 94.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.15 -0.477 . . . . 1.4 110.248 175.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.72 -45.01 95.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 3.34 110.143 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.673 ' HG3' ' HB ' ' A' ' 30' ' ' ILE . 41.6 tpp -56.17 -46.34 79.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.549 -0.75 . . . . 1.35 110.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD12 ' A' ' 71' ' ' ILE . . . -69.5 -48.43 60.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.005 -0.543 . . . . 1.17 112.01 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 p -69.81 -38.64 76.67 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.215 0.45 . . . . 1.45 112.215 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' OD1' ' HB2' ' A' ' 29' ' ' LYS . 37.0 t70 -76.18 -10.29 59.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 2.5 110.257 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.7 m120 61.61 27.67 17.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.551 -0.75 . . . . 2.34 109.802 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HB2' ' OD1' ' A' ' 27' ' ' ASP . 87.2 tttt -77.94 -8.8 58.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.987 -1.006 . . . . 3.29 109.971 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.673 ' HB ' ' HG3' ' A' ' 24' ' ' MET . 7.4 tt -70.79 85.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.832 0.825 . . . . 0.81 111.048 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.415 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 37.0 m-80 -61.55 154.19 25.49 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.23 -0.896 . . . . 2.15 109.191 174.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.686 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -60.07 -34.15 73.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -175.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.14 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 1.24 111.146 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.601 HD21 ' HA ' ' A' ' 30' ' ' ILE . 2.2 p-10 -110.42 15.97 21.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.98 -0.555 . . . . 1.45 110.202 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.686 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.1 t -70.78 -20.92 62.55 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.938 -1.134 . . . . 1.07 107.938 174.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.461 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 52.8 m95 -96.29 163.04 13.25 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.931 -1.486 . . . . 0.9 109.591 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 36' ' ' TRP . 46.3 m-80 71.75 1.2 3.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.603 0.761 . . . . 2.37 111.309 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -110.27 105.79 14.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.391 -0.368 . . . . 1.61 110.749 175.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -123.34 116.07 22.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.706 -0.479 . . . . 1.04 109.706 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 68' ' ' CYS . 10.2 mt -75.54 -44.53 43.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.153 0.501 . . . . 1.62 111.769 -177.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.588 ' HA ' ' HB3' ' A' ' 44' ' ' PHE . 10.5 mm -66.74 -27.13 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.724 . . . . 1.81 111.389 -167.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -52.69 -45.0 66.64 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.043 0.449 . . . . 2.45 110.387 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -84.56 -31.69 24.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 1.91 110.767 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CE2' HG21 ' A' ' 150' ' ' THR . 40.9 t80 -66.41 -33.5 75.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 2.0 110.635 -177.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.483 ' NE2' ' HB3' ' A' ' 149' ' ' GLU . 0.2 OUTLIER -68.03 -44.47 76.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 1.33 111.883 -177.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 47' ' ' MET . 20.6 t70 -60.99 -28.96 69.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 2.94 111.045 -175.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.729 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 32.5 mtt 76.88 -41.19 0.39 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.357 0.873 . . . . 1.99 113.357 174.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -47.86 -37.65 14.39 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.738 0.644 . . . . 3.73 112.738 -173.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.7 tp -80.01 -33.17 39.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.333 0.494 . . . . 2.19 112.333 -170.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.1 tp -120.02 -19.87 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.382 0.512 . . . . 3.39 112.382 -169.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.729 ' HD3' ' HA ' ' A' ' 47' ' ' MET . 13.8 mptt -83.57 -179.87 7.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.954 0.407 . . . . 3.18 111.43 -175.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -96.71 78.44 2.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.773 -0.649 . . . . 2.55 109.946 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.56 -105.18 1.07 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.801 -0.714 . . . . 1.64 112.0 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.1 0.66 38.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.678 0.275 . . . . 2.87 111.06 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 51' ' ' LYS . 8.5 t -134.27 -167.26 1.93 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.964 -0.384 . . . . 1.64 109.964 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.662 ' HB ' ' HG3' ' A' ' 51' ' ' LYS . 7.2 p -153.34 129.75 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-O 121.566 0.698 . . . . 0.63 110.552 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' C ' ' H ' ' A' ' 59' ' ' GLN . 49.7 t-20 -84.31 120.31 26.1 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 106.556 -1.646 . . . . 2.33 106.556 168.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.739 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 70.0 m-85 -67.57 4.7 0.98 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.651 -0.704 . . . . 0.82 111.104 -174.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 57' ' ' ASN . 29.5 tt0 -73.72 -59.61 2.64 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.343 0.592 . . . . 1.65 109.509 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -72.8 -26.92 61.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.309 -0.86 . . . . 2.25 110.095 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.739 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -62.97 -46.59 87.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.791 -0.641 . . . . 0.62 110.633 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.635 ' HB2' ' HD1' ' A' ' 171' ' ' PHE . 35.5 t -68.28 -40.39 81.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.406 -0.361 . . . . 1.13 110.656 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.3 t -55.81 -49.16 73.99 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.238 0.542 . . . . 0.99 110.564 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -73.22 -30.59 63.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.807 -0.633 . . . . 1.36 110.565 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.655 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 50.8 tp -63.01 -46.41 87.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.475 -0.329 . . . . 1.52 110.261 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.82 -45.6 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.287 0.565 . . . . 0.82 109.942 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.88 -42.25 86.41 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.402 -0.817 . . . . 0.56 113.133 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.655 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 31.3 p -69.22 -38.33 78.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.073 0.437 . . . . 1.16 111.838 -174.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.73 -36.04 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.554 -0.458 . . . . 1.54 109.931 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -67.42 -49.54 63.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 2.91 111.318 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.596 HD12 ' HB2' ' A' ' 25' ' ' ALA . 10.1 tt -67.17 -38.62 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.681 0.277 . . . . 1.22 111.591 -176.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -65.93 -39.38 90.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.674 0.273 . . . . 0.86 110.469 -178.403 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.444 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 12.6 p -76.17 -25.75 55.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.604 -0.271 . . . . 0.65 110.964 176.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 t -62.52 -34.18 76.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.41 -0.589 . . . . 1.3 109.41 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.557 ' NH2' ' HA ' ' A' ' 140' ' ' VAL . 58.9 mtm180 -68.33 -36.72 79.69 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.887 -0.597 . . . . 1.69 109.907 175.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.532 HG22 HD13 ' A' ' 189' ' ' LEU . 99.2 t -56.95 -44.25 82.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.178 0.513 . . . . 0.78 109.732 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.29 -27.49 69.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.741 -0.663 . . . . 1.87 111.013 176.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 m -67.69 -33.82 75.67 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.774 0.321 . . . . 1.25 110.574 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG11 ' CE ' ' A' ' 137' ' ' MET . 21.9 t -65.94 -40.4 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.253 -0.647 . . . . 1.4 109.253 173.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.35 -26.67 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.552 -0.749 . . . . 1.45 110.645 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.5 m -67.15 -32.12 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 1.96 109.982 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.33 -36.43 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 2.42 109.998 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.0 m -59.07 -36.97 75.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.391 0.615 . . . . 3.15 110.46 174.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.75 -25.44 75.54 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.639 -0.709 . . . . 4.2 112.344 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -59.42 -39.73 84.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.478 . . . . 4.88 110.35 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.531 HD11 ' HG2' ' A' ' 205' ' ' GLU . 8.0 mp -66.41 -39.99 89.31 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.821 -0.627 . . . . 5.71 110.549 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 69.0 tp -56.69 -44.32 81.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.902 -0.59 . . . . 6.68 110.706 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 m -59.71 -48.34 82.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.142 -0.481 . . . . 8.18 110.947 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.82 -45.31 58.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.937 -0.649 . . . . 8.78 112.942 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.71 -43.83 87.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.524 0.202 . . . . 8.69 111.282 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.43 95.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.842 0.353 . . . . 10.13 110.641 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.1 -19.94 66.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.541 . . . . 12.11 111.075 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.3 t -81.95 -6.83 59.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.925 -0.579 . . . . 11.17 110.987 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -124.4 -37.73 2.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.229 0.538 . . . . 11.37 110.439 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -132.42 107.27 8.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.57 -0.741 . . . . 13.64 109.688 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -121.57 -36.76 3.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.258 0.551 . . . . 13.75 109.897 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -122.97 -50.75 1.92 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.963 -0.562 . . . . 16.1 109.712 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -142.53 149.36 39.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.21 -0.904 . . . . 14.61 108.613 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -62.25 124.36 20.67 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.523 -0.547 . . . . 16.89 109.523 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.93 136.81 56.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.741 -0.466 . . . . 14.47 109.741 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -66.88 -17.83 65.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 17.73 111.899 -176.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 52.83 56.61 7.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.593 0.711 . . . . 14.83 110.706 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.73 140.17 45.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.138 -0.937 . . . . 16.07 110.662 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.9 4.18 59.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.646 -0.788 . . . . 14.74 113.005 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -82.0 -8.51 86.5 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.792 -0.718 . . . . 15.53 112.419 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 152.46 -161.13 29.32 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.875 -0.678 . . . . 15.58 111.795 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.8 m -100.66 115.59 30.59 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.932 0.396 . . . . 15.74 110.522 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.7 -36.16 2.87 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.24 -0.744 . . . . 16.77 111.24 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -146.09 40.58 1.06 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.982 -0.847 . . . . 17.08 110.982 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.9 m -105.57 4.99 30.95 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.677 0.275 . . . . 17.9 111.077 -176.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 51.0 mt -69.6 105.98 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.136 0.493 . . . . 16.88 111.015 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -95.69 165.93 12.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.833 -0.621 . . . . 15.45 109.618 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -71.01 155.65 40.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.692 -0.484 . . . . 17.68 109.692 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 139.78 58.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.585 -0.524 . . . . 14.48 109.585 177.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 95.3 mt -123.83 128.68 74.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.903 -0.589 . . . . 11.8 110.573 -172.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.414 ' HB2' HG23 ' A' ' 119' ' ' VAL . 80.0 m-20 -94.46 133.31 27.21 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.864 -0.607 . . . . 11.37 109.919 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.89 -36.29 98.89 Favored 'Trans proline' 0 CA--C 1.527 0.154 0 C-N-CA 122.613 2.209 . . . . 10.68 111.749 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -56.81 -27.02 59.28 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.684 -0.689 . . . . 10.74 111.755 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' A' ' 116' ' ' ASN . 52.6 t -59.82 -47.76 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.18 0.514 . . . . 8.53 110.252 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.49 ' HA ' HG12 ' A' ' 123' ' ' ILE . 23.3 mmt -77.79 -20.08 53.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.855 -0.611 . . . . 8.74 110.897 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -42.95 99.78 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.233 -0.655 . . . . 7.33 109.233 172.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tpt -60.91 -34.49 74.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.063 -0.971 . . . . 7.24 111.315 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.49 HG12 ' HA ' ' A' ' 120' ' ' MET . 36.8 mm -55.3 -31.17 26.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.28 -0.418 . . . . 5.24 111.548 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -51.62 -33.49 33.44 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.099 0.475 . . . . 4.69 111.842 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.7 m -62.67 -27.31 69.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.826 -0.625 . . . . 4.02 111.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 203' ' ' LYS . 6.2 p -53.43 -30.58 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 113.077 0.769 . . . . 3.81 113.077 -169.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 130' ' ' GLU . 43.2 mt-10 -52.32 -29.22 22.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.381 0.511 . . . . 4.32 112.381 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -70.51 -32.31 69.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.14 0.495 . . . . 4.42 111.231 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.442 ' HB3' ' HD3' ' A' ' 206' ' ' LYS . 47.2 mttp -70.75 -23.72 62.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 4.65 112.396 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 202' ' ' PRO . 7.0 pt-20 -54.59 -25.47 26.52 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.25 0.463 . . . . 3.16 112.25 -175.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 24.1 mmt -54.72 -27.97 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.526 0.565 . . . . 3.28 112.526 -175.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.9 m -64.01 -37.82 88.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.979 0.419 . . . . 1.58 110.419 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 202' ' ' PRO . 0.2 OUTLIER -67.18 -42.59 84.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.835 -0.802 . . . . 1.83 108.835 177.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -60.42 -38.7 84.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.623 -0.717 . . . . 3.67 110.336 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -61.26 -45.41 94.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.05 -0.523 . . . . 1.73 110.737 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.516 ' CE ' HD22 ' A' ' 133' ' ' LEU . 59.2 mtm -68.97 -38.43 79.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 1.05 110.708 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.439 ' CE ' HG11 ' A' ' 79' ' ' VAL . 19.8 mmt -62.6 -38.44 90.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.103 0.478 . . . . 1.44 110.049 174.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -60.73 -38.15 84.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.5 -0.773 . . . . 3.44 110.26 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 28.1 m -62.15 -47.7 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 1.16 110.185 175.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.557 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 85.1 t -59.05 -50.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.779 -0.646 . . . . 1.15 111.038 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.89 -38.39 90.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.891 -0.595 . . . . 1.45 111.779 -176.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -59.4 -51.88 68.0 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.244 -0.182 . . . . 3.01 110.864 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.612 ' O ' HG13 ' A' ' 147' ' ' ILE . 5.1 m-20 -59.99 -44.32 94.6 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.998 -0.371 . . . . 1.64 109.998 177.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -53.75 -53.57 50.35 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.3 0.375 . . . . 1.8 111.386 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -62.88 -42.31 99.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.84 110.584 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -65.93 -31.28 72.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.556 . . . . 2.66 111.182 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.612 HG13 ' O ' ' A' ' 143' ' ' ASP . 74.5 mt -60.83 -50.73 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 110.394 -0.225 . . . . 0.59 110.394 176.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -55.62 -44.28 76.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.224 0.535 . . . . 2.39 110.376 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.483 ' HB3' ' NE2' ' A' ' 45' ' ' HIS . 0.9 OUTLIER -61.05 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.344 -0.843 . . . . 2.47 110.357 178.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.63 HG21 ' CE2' ' A' ' 44' ' ' PHE . 53.8 m -66.69 -49.32 66.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.522 . . . . 0.71 111.347 -178.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.429 HD13 HD21 ' A' ' 179' ' ' LEU . 71.8 mt -59.41 -42.74 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.387 . . . . 1.05 110.449 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.43 95.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.315 -0.402 . . . . 0.49 110.906 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 41.5 m -64.69 -51.01 64.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.54 111.076 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.24 -33.08 74.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 1.37 110.83 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 20.0 t70 -62.0 -45.32 94.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.071 -0.513 . . . . 0.78 110.585 175.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.439 ' O ' ' HD3' ' A' ' 160' ' ' LYS . 49.1 mt-10 -69.7 -29.71 67.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 2.52 110.772 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -66.25 -30.67 71.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.928 0.394 . . . . 0.92 110.285 174.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 158' ' ' LYS . 9.3 mtpm? -73.19 -25.1 60.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 1.93 110.389 175.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 155' ' ' ASP . 77.6 mtt180 -73.14 -38.91 66.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 3.78 109.819 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 156' ' ' GLU . 5.7 mptp? -66.79 -52.92 38.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.982 -0.554 . . . . 2.94 110.049 173.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -107.83 85.53 2.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 1.97 110.428 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 36.1 m -91.06 2.64 56.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.029 -0.532 . . . . 3.67 110.624 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -95.12 -151.94 28.84 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.892 -0.671 . . . . 3.19 112.215 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -103.05 40.22 2.51 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.918 -0.658 . . . . 2.95 112.603 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 26.6 t -66.59 -33.23 75.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.224 0.535 . . . . 3.61 110.052 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -146.68 -174.56 4.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 3.62 109.398 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.83 61.04 2.54 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.615 -0.803 . . . . 1.32 112.056 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 6.2 p -67.33 -50.01 61.77 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.164 0.431 . . . . 1.5 112.164 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -66.08 -42.32 89.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 3.65 110.627 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 57.6 ttp -61.01 -38.3 85.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 1.37 110.66 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.635 ' HD1' ' HB2' ' A' ' 62' ' ' SER . 92.4 t80 -66.0 -33.07 74.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.918 -0.583 . . . . 0.9 111.123 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.04 -45.88 76.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 2.38 110.439 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.34 -42.01 88.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.915 -0.584 . . . . 2.29 110.777 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -70.95 -31.84 68.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.155 -0.475 . . . . 3.45 111.117 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 27.0 ttmt -57.77 -55.15 38.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 1.22 110.791 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.88 -33.91 75.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 1.35 111.08 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -73.47 -42.6 61.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 2.03 110.726 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.99 99.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.91 110.528 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 87.0 mt -60.96 -39.31 89.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 1.63 111.005 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 184' ' ' LYS . 52.5 tptt -62.21 -46.2 89.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 3.14 110.373 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 19.8 m -66.64 -40.66 88.83 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.182 0.515 . . . . 1.29 110.717 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.9 -46.66 89.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 0.66 110.845 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -60.22 -35.34 75.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.71 111.727 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 180' ' ' LYS . 99.7 mttt -55.98 -51.89 66.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 2.83 110.977 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.427 ' HB2' HG21 ' A' ' 73' ' ' THR . 34.9 mmtp -76.71 -27.83 55.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.953 -0.567 . . . . 2.06 110.66 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' ASP . . . . . 0.442 ' HB3' ' HA ' ' A' ' 183' ' ' ALA . 31.8 t70 -66.35 -35.03 79.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 1.16 110.957 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 94.2 mt -60.73 -43.14 98.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.629 -0.508 . . . . 2.35 109.629 173.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -65.39 -40.15 93.1 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.753 -0.658 . . . . 2.76 110.106 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.532 HD13 HG22 ' A' ' 76' ' ' VAL . 52.9 tp -54.7 -43.93 72.96 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.846 0.355 . . . . 1.24 111.028 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.37 -40.95 96.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.446 . . . . 2.24 111.54 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -70.32 -45.74 65.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.24 0.543 . . . . 2.86 110.683 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' ILE . . . . . 1.053 HG23 HD12 ' A' ' 196' ' ' LEU . 45.2 mt -57.17 -51.5 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.323 -0.853 . . . . 1.24 111.308 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.496 ' O ' ' HB3' ' A' ' 197' ' ' ARG . 12.4 p -61.45 -47.42 85.78 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.848 -0.341 . . . . 1.75 111.116 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -62.44 -57.35 11.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 3.84 111.702 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.28 -53.22 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.482 0.549 . . . . 3.54 112.482 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 1.053 HD12 HG23 ' A' ' 192' ' ' ILE . 63.2 mt -70.57 -45.24 65.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.572 -0.286 . . . . 3.31 111.739 -170.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' ARG . . . . . 0.626 ' O ' ' HG2' ' A' ' 202' ' ' PRO . 0.0 OUTLIER -74.07 -26.37 60.34 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.816 -0.354 . . . . 6.05 110.934 -174.002 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.29 -47.51 85.71 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.086 -0.246 . . . . 4.3 111.373 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.589 ' O ' ' HE2' ' A' ' 203' ' ' LYS . 43.5 mt-10 -124.75 -63.27 1.19 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.728 1.01 . . . . 5.29 113.728 -175.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.591 HG13 ' H ' ' A' ' 201' ' ' GLU . 23.4 pt -78.69 -66.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 114.603 1.335 . . . . 3.27 114.603 -161.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.591 ' H ' HG13 ' A' ' 200' ' ' ILE . 0.3 OUTLIER -56.16 -53.48 63.15 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 114.503 1.297 . . . . 6.5 114.503 -166.653 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' PRO . . . . . 0.626 ' HG2' ' O ' ' A' ' 197' ' ' ARG . 65.7 Cg_exo -54.67 -49.63 16.13 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.235 1.956 . . . . 6.81 114.18 -172.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . 0.589 ' HE2' ' O ' ' A' ' 199' ' ' GLU . 0.0 OUTLIER -97.65 -60.1 1.64 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.535 0.568 . . . . 6.75 112.535 -175.101 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -68.27 -30.87 69.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.364 0.876 . . . . 6.12 113.364 -167.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.531 ' HG2' HD11 ' A' ' 86' ' ' LEU . 2.8 tm-20 -53.86 -56.2 19.78 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.126 0.489 . . . . 9.31 110.625 -177.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 129' ' ' LYS . 12.2 ptmt -67.19 -42.18 84.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.886 -0.597 . . . . 10.45 111.89 -174.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 21.5 tp -76.45 -44.94 33.51 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.061 0.393 . . . . 7.6 112.061 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.474 ' HA ' ' HB2' ' A' ' 212' ' ' ARG . 42.2 ttm180 -63.76 -40.28 96.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.565 -0.289 . . . . 9.48 111.337 -174.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.72 -50.36 72.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.085 0.469 . . . . 12.83 111.284 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . 0.41 ' HB2' HE22 ' A' ' 221' ' ' GLN . 10.8 pt-20 -86.4 -54.54 4.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.019 -0.537 . . . . 10.85 112.137 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -78.9 -49.67 12.46 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.484 0.55 . . . . 10.09 112.484 -170.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.474 ' HB2' ' HA ' ' A' ' 208' ' ' ARG . 0.0 OUTLIER -68.76 -35.05 76.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.707 0.289 . . . . 12.5 110.492 -174.099 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -79.13 -59.89 2.59 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.803 -0.359 . . . . 13.01 111.515 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -77.56 -56.48 4.49 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.77 0.656 . . . . 13.47 112.77 -175.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 69.0 mt -74.75 -23.09 58.49 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.068 0.766 . . . . 11.97 113.068 -167.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.82 -54.95 20.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.921 0.391 . . . . 12.73 110.624 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -84.48 -41.04 16.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 13.81 111.653 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -105.39 152.96 22.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.353 -0.385 . . . . 15.46 110.674 -175.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -74.45 -42.1 59.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.995 0.426 . . . . 15.41 110.374 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 15.1 p -112.43 134.05 54.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 17.57 111.605 -177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . 0.41 HE22 ' HB2' ' A' ' 210' ' ' GLU . 3.4 pt20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.501 -0.761 . . . . 17.45 110.239 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 112.205 -0.358 . . . . 21.3 112.205 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -141.09 143.75 34.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.914 0.388 . . . . 20.91 111.039 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -14.57 37.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.102 0.477 . . . . 18.53 109.913 176.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -142.84 125.11 15.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.658 . . . . 17.71 109.783 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.75 139.72 47.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.964 0.412 . . . . 14.57 111.242 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.7 t -81.85 124.46 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.782 -0.644 . . . . 12.18 110.445 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.2 p -93.02 117.12 67.42 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.192 -0.458 . . . . 9.93 111.157 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.2 -12.53 17.35 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.586 2.191 . . . . 8.73 112.125 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.6 tpt -103.19 130.15 50.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.504 -0.771 . . . . 8.19 109.491 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -67.64 109.18 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.992 0.425 . . . . 6.67 110.393 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 11' ' ' ARG . 30.8 ttt180 -138.47 130.45 28.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.769 -0.65 . . . . 6.27 109.727 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -97.58 117.14 65.71 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 116.027 -0.533 . . . . 3.08 109.937 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 18.7 Cg_exo -66.19 103.42 0.63 Allowed 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.57 2.18 . . . . 1.71 111.426 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mm -63.64 -32.84 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.767 -0.651 . . . . 2.27 110.516 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.622 ' HA ' HD11 ' A' ' 49' ' ' LEU . 4.1 pp -67.01 -30.52 70.65 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.917 -0.313 . . . . 2.13 110.361 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.523 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -76.28 -32.92 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.07 0.462 . . . . 1.02 109.959 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -44.15 85.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 2.23 110.145 174.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.36 -50.65 73.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 1.52 111.094 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 9.6 pt-20 -69.42 -27.09 64.97 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.866 -0.334 . . . . 2.43 111.025 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -64.7 -41.37 96.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.236 0.541 . . . . 1.99 109.545 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.561 ' HA ' ' HE2' ' A' ' 38' ' ' PHE . 38.6 m0 -65.23 -42.21 93.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.442 -0.799 . . . . 1.14 110.334 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.64 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -68.02 -38.83 83.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.968 -0.56 . . . . 1.4 110.373 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -58.5 -41.88 86.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.778 -0.646 . . . . 3.34 110.038 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.72 ' HG3' ' HB ' ' A' ' 30' ' ' ILE . 46.7 tpp -64.51 -47.32 79.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.217 -0.901 . . . . 1.35 110.592 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . . . -69.06 -51.75 35.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.785 -0.643 . . . . 1.17 112.391 -176.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -62.1 -39.13 91.47 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.56 0.578 . . . . 1.45 112.56 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.16 3.05 28.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.998 0.427 . . . . 2.5 110.59 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.6 t30 61.06 25.97 15.95 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.889 0.852 . . . . 2.34 110.179 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -80.78 -16.12 54.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.146 -0.934 . . . . 3.29 109.5 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.815 ' HA ' HD21 ' A' ' 34' ' ' ASN . 6.3 tt -71.0 95.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.14 -0.936 . . . . 0.81 110.85 178.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -71.27 159.87 33.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.817 -0.809 . . . . 2.15 108.817 173.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HA ' ' OG ' ' A' ' 35' ' ' SER . . . -62.67 -34.92 78.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.822 0.344 . . . . 1.0 111.317 -177.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.6 70.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.253 -0.43 . . . . 1.24 111.256 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.815 HD21 ' HA ' ' A' ' 30' ' ' ILE . 2.0 p-10 -110.96 14.53 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 1.45 111.125 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.486 ' HA ' HD11 ' A' ' 30' ' ' ILE . 67.4 m -72.15 -16.62 61.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.148 -1.056 . . . . 1.07 108.148 170.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.471 ' CZ2' ' HB2' ' A' ' 78' ' ' SER . 22.4 m95 -81.64 152.5 27.12 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 114.369 -1.287 . . . . 0.9 109.428 173.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 36' ' ' TRP . 7.2 t30 71.29 -2.18 2.48 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.179 0.925 . . . . 2.37 110.795 -173.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' HE2' ' HA ' ' A' ' 21' ' ' TRP . 11.7 m-85 -108.7 94.4 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.762 0.315 . . . . 1.61 110.76 175.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' O ' ' HZ3' ' A' ' 21' ' ' TRP . . . -136.12 117.09 14.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.088 0.47 . . . . 1.04 110.497 172.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.403 ' HA ' ' HD1' ' A' ' 43' ' ' TYR . 79.2 mt -73.28 -17.16 61.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.867 -0.606 . . . . 1.62 110.919 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.079 ' HA ' ' HD2' ' A' ' 44' ' ' PHE . 15.4 mt -62.62 -29.57 47.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.48 -0.782 . . . . 1.81 111.89 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.09 -29.66 70.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.877 0.37 . . . . 2.45 110.443 176.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.403 ' HD1' ' HA ' ' A' ' 40' ' ' LEU . 96.6 m-85 -73.23 -31.88 64.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 1.91 110.579 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 1.079 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 84.4 m-85 -65.19 -42.72 93.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.367 . . . . 2.0 110.693 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -75.83 -29.13 58.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.131 0.491 . . . . 1.33 110.394 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.94 -58.26 7.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.576 -0.738 . . . . 2.94 111.224 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 50.9 mtt 54.93 40.45 32.01 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.678 -0.692 . . . . 1.99 112.652 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 t -110.77 -32.7 6.77 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.13 -0.692 . . . . 3.73 109.13 169.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' A' ' 15' ' ' LEU . 8.4 tt -90.72 -52.12 5.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.599 -0.728 . . . . 2.19 110.128 178.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -73.45 -32.85 64.59 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.036 -0.529 . . . . 3.39 111.361 -175.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 47' ' ' MET . 47.6 tttp -86.51 126.43 34.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.98 -0.555 . . . . 3.18 110.149 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -122.13 101.5 7.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.03 -0.532 . . . . 2.55 110.4 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.25 -140.83 15.91 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.553 -0.749 . . . . 1.64 112.949 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.36 -29.41 59.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.987 0.422 . . . . 2.87 111.662 -173.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -131.21 -166.22 1.67 Allowed 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.569 -0.53 . . . . 1.64 109.569 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.58 130.52 56.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.311 0.577 . . . . 0.63 109.772 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 15.3 m120 -70.75 111.58 6.31 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.143 -0.935 . . . . 2.33 109.418 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.756 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 50.2 m-85 -70.76 -4.45 23.95 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.867 -0.606 . . . . 0.82 110.962 -176.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.01 -59.25 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.121 -0.696 . . . . 1.65 109.121 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 13.9 ptmm? -64.6 -27.69 69.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.315 -0.857 . . . . 2.25 110.073 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -66.87 -30.62 70.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.806 -0.634 . . . . 0.62 111.017 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.416 ' OG ' ' HG3' ' A' ' 174' ' ' ARG . 66.6 m -70.13 -40.52 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.445 -0.343 . . . . 1.13 110.399 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.6 t -61.11 -49.69 76.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.094 -0.503 . . . . 0.99 110.463 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.6 p -67.56 -26.41 66.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.456 . . . . 1.36 111.169 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HB2' HH21 ' A' ' 174' ' ' ARG . 3.4 tm? -65.29 -52.38 54.56 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.956 -0.387 . . . . 1.52 109.956 176.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.35 -42.09 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.82 110.191 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.589 ' HA2' ' HE2' ' A' ' 70' ' ' LYS . . . -65.59 -35.72 91.52 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.915 -0.66 . . . . 0.56 112.24 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.14 -53.27 52.16 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.578 0.351 . . . . 1.16 111.125 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.13 -37.05 76.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.32 0.581 . . . . 1.54 110.199 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.589 ' HE2' ' HA2' ' A' ' 67' ' ' GLY . 34.4 ttpt -65.7 -50.84 63.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.266 -0.879 . . . . 2.91 111.394 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.428 HD11 ' HB3' ' A' ' 38' ' ' PHE . 16.7 tt -72.76 -33.06 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 1.22 111.176 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.605 ' O ' HG23 ' A' ' 76' ' ' VAL . 33.2 t80 -57.79 -47.38 82.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.86 110.453 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.664 HG21 ' HB3' ' A' ' 185' ' ' LYS . 11.5 p -75.27 -27.89 59.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.359 0.503 . . . . 0.65 112.359 -175.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 p -70.94 -31.45 68.04 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.253 0.549 . . . . 1.3 109.823 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 75' ' ' ARG . 46.3 mtp180 -68.61 -31.78 71.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.647 -0.706 . . . . 1.69 109.917 173.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 192' ' ' ILE . 26.0 t -68.39 -35.3 70.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.2 0.524 . . . . 0.78 109.829 174.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -64.6 -28.94 69.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.869 0.366 . . . . 1.87 110.432 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.471 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 13.7 m -66.14 -48.81 69.57 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.184 0.516 . . . . 1.25 110.621 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.431 HG13 ' CH2' ' A' ' 36' ' ' TRP . 24.3 m -67.69 -28.28 41.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 116.171 -0.468 . . . . 1.4 110.567 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.588 ' HB2' HD13 ' A' ' 192' ' ' ILE . . . -58.3 -48.97 78.79 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.615 0.245 . . . . 1.45 111.431 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.5 m -61.76 -42.72 99.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.159 0.504 . . . . 1.96 110.196 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.57 -14.32 61.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.759 -0.655 . . . . 2.42 112.009 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.7 m -57.1 -39.25 74.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.688 0.28 . . . . 3.15 110.459 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.97 ' HA2' HG13 ' A' ' 200' ' ' ILE . . . -59.52 -26.05 61.63 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.939 -0.573 . . . . 4.2 112.514 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 88' ' ' SER . 29.9 mmtp -73.66 -29.84 62.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.66 0.267 . . . . 4.88 110.802 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.75 HD12 ' HB2' ' A' ' 130' ' ' GLU . 8.9 tp -61.57 -58.77 6.79 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 122.696 0.398 . . . . 5.71 112.04 -173.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.864 HD12 HG21 ' A' ' 200' ' ' ILE . 42.3 mt -71.33 -14.85 62.33 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.61 -0.436 . . . . 6.68 110.892 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.483 ' HB2' ' O ' ' A' ' 85' ' ' LYS . 69.9 m -59.79 -31.39 69.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.798 0.332 . . . . 8.18 110.328 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.731 ' HA2' ' HA ' ' A' ' 127' ' ' GLU . . . -70.3 -28.67 71.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 8.78 111.89 175.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 87' ' ' LEU . 3.9 mm? -77.9 4.16 12.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.412 0.285 . . . . 8.69 111.282 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.82 -37.01 73.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.583 -0.28 . . . . 10.13 110.973 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 96' ' ' SER . 21.5 t70 -60.51 -37.51 81.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.045 -0.525 . . . . 12.11 110.881 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 m -66.72 -29.86 69.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 11.17 110.888 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -89.05 -38.57 14.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.772 0.32 . . . . 11.37 111.142 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -142.19 113.2 7.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.161 -0.472 . . . . 13.64 110.15 -175.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 6.6 t -154.19 -34.22 0.1 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.885 0.374 . . . . 13.75 110.41 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -122.4 21.74 10.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 16.1 110.704 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -77.53 -29.32 52.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.267 -0.642 . . . . 14.61 109.267 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -67.13 168.72 9.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.218 -0.901 . . . . 16.89 110.087 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.68 150.06 36.37 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.514 -0.55 . . . . 14.47 109.514 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.927 ' HG3' ' HG3' ' A' ' 102' ' ' GLU . 34.4 ptt180 -55.84 -26.88 48.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 17.73 111.498 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.927 ' HG3' ' HG3' ' A' ' 101' ' ' ARG . 34.7 mt-10 -115.18 156.67 24.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.318 -0.401 . . . . 14.83 110.617 -176.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.36 27.31 6.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.165 0.507 . . . . 16.07 110.653 -177.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.7 -17.65 56.23 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.779 -0.724 . . . . 14.74 111.479 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.78 124.42 32.75 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 112.019 -0.432 . . . . 15.53 112.019 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.99 19.91 15.64 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.357 -0.697 . . . . 15.58 111.357 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.9 m 63.84 95.98 0.04 OUTLIER 'General case' 0 CA--C 1.527 0.095 0 CA-C-O 121.286 0.565 . . . . 15.74 111.102 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -88.73 62.43 3.68 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.792 -0.718 . . . . 16.77 111.896 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.87 -147.32 21.23 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.86 -0.686 . . . . 17.08 112.408 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.5 m -74.74 -28.49 60.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.783 0.325 . . . . 17.9 111.3 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 94.6 mt -79.92 92.33 5.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.351 0.596 . . . . 16.88 110.911 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -83.39 62.66 6.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.281 0.562 . . . . 15.45 110.747 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -89.21 0.88 56.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.462 -0.79 . . . . 17.68 110.326 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.611 ' H ' ' HD2' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -96.73 -171.53 2.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.882 -0.785 . . . . 14.48 108.882 174.3 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 115' ' ' ILE . 40.3 mt -49.5 115.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 O-C-N 123.48 0.488 . . . . 11.8 111.534 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.425 ' HB2' HG23 ' A' ' 119' ' ' VAL . 33.5 m-80 -87.61 139.82 31.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.478 -0.328 . . . . 11.37 110.379 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.11 -40.43 85.88 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.669 2.246 . . . . 10.68 112.356 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -63.17 -23.27 67.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.472 -0.331 . . . . 10.74 111.587 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.522 HG21 ' CG ' ' A' ' 216' ' ' ASP . 79.1 t -63.49 -45.4 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.161 0.505 . . . . 8.53 110.371 177.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.411 ' HA ' HG12 ' A' ' 123' ' ' ILE . 21.5 mmt -73.62 -21.87 60.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.759 -0.655 . . . . 8.74 110.439 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.442 ' O ' ' HB3' ' A' ' 124' ' ' ASP . 31.1 m-80 -68.96 -31.55 70.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.048 -0.524 . . . . 7.33 110.093 172.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.402 ' HE2' ' HB2' ' A' ' 122' ' ' MET . 69.7 mtm -69.68 -37.9 76.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 7.24 109.952 175.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.967 HD12 HD21 ' A' ' 207' ' ' LEU . 5.7 mm -70.56 -31.16 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.308 0.575 . . . . 5.24 109.768 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.489 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 22.7 t70 -53.65 -33.53 55.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.339 -0.846 . . . . 4.69 110.958 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.8 m -57.77 -42.36 83.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.904 -0.589 . . . . 4.02 111.398 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 123' ' ' ILE . 4.0 m -71.71 -32.93 46.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.069 0 N-CA-C 110.05 -0.352 . . . . 3.81 110.05 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.731 ' HA ' ' HA2' ' A' ' 89' ' ' GLY . 48.4 mt-10 -65.79 -42.0 91.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.933 -0.576 . . . . 4.32 111.018 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 124' ' ' ASP . 32.3 mmmt -65.71 -31.55 72.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.118 0.485 . . . . 4.42 111.116 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -62.44 -25.27 67.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.574 -0.739 . . . . 4.65 112.213 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.75 ' HB2' HD12 ' A' ' 86' ' ' LEU . 6.2 pt-20 -54.42 -32.2 56.82 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.93 0.395 . . . . 3.16 111.151 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.55 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 80.7 mtp -61.69 -38.03 86.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 3.28 110.346 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' A' ' 136' ' ' MET . 24.3 m -73.4 -41.19 63.63 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.821 -0.627 . . . . 1.58 111.161 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.574 HD12 HD22 ' A' ' 86' ' ' LEU . 3.2 tm? -61.19 -51.97 66.79 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.723 -0.217 . . . . 1.83 111.193 -175.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 131' ' ' MET . 60.3 pttt -65.4 -30.66 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.825 -0.35 . . . . 3.67 110.7 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -67.03 -43.87 81.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 1.73 109.873 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.517 ' O ' HG23 ' A' ' 140' ' ' VAL . 44.5 mtm -63.53 -46.04 87.85 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.211 -0.45 . . . . 1.05 110.824 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.411 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 13.7 mmt -55.12 -43.99 74.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.003 0.43 . . . . 1.44 110.721 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -64.47 -44.46 90.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 3.44 110.543 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 143' ' ' ASP . 91.1 m -58.81 -41.42 86.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 1.16 110.799 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 136' ' ' MET . 75.2 t -62.74 -43.04 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.173 0.511 . . . . 1.15 110.89 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 144' ' ' LYS . 49.0 mt -73.52 -37.8 65.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.457 -0.338 . . . . 1.45 111.196 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.545 ' HA ' ' ND1' ' A' ' 145' ' ' HIS . 8.3 mtpm? -70.57 -28.52 64.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.019 0.438 . . . . 3.01 110.215 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.56 ' HA ' ' HG3' ' A' ' 146' ' ' LYS . 7.2 t70 -68.51 -31.48 70.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.445 0.64 . . . . 1.64 109.511 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.454 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 17.0 ttmm -61.11 -42.69 98.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.435 -0.802 . . . . 1.8 109.104 172.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.545 ' ND1' ' HA ' ' A' ' 142' ' ' LYS . 26.2 m170 -65.92 -30.13 70.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.162 -0.927 . . . . 0.84 110.517 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.56 ' HG3' ' HA ' ' A' ' 143' ' ' ASP . 38.2 mttp -57.69 -47.2 83.01 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.951 -0.388 . . . . 2.66 109.951 173.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 59.0 mt -59.93 -40.36 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.742 -0.663 . . . . 0.59 110.492 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -54.03 -47.95 71.03 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.973 -0.558 . . . . 2.39 110.47 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -63.16 -40.21 96.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.873 -0.603 . . . . 2.47 110.628 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.512 HG23 ' HB3' ' A' ' 44' ' ' PHE . 68.9 m -59.84 -51.46 69.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.71 111.302 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.17 -41.49 89.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 1.05 110.444 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.35 99.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.49 111.487 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 20.2 m -66.75 -45.5 78.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.533 -0.303 . . . . 0.54 110.634 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.3 -31.68 72.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.936 0.398 . . . . 1.37 110.643 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.562 ' O ' ' HB3' ' A' ' 158' ' ' LYS . 21.1 t70 -64.22 -37.8 88.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.01 -0.541 . . . . 0.78 111.033 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.524 ' OE2' ' HE2' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -77.6 -26.11 50.4 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.587 -0.445 . . . . 2.52 110.139 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.507 ' HA ' ' HD2' ' A' ' 160' ' ' LYS . 8.5 m-85 -66.28 -39.51 89.46 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.61 -0.515 . . . . 0.92 109.61 171.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 155' ' ' ASP . 19.8 ttpt -55.45 -38.71 69.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.333 -0.849 . . . . 1.93 110.173 172.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 156' ' ' GLU . 56.1 ttp180 -63.62 -47.22 82.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.503 -0.771 . . . . 3.78 110.768 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.524 ' HE2' ' OE2' ' A' ' 156' ' ' GLU . 23.5 mttm -63.22 -42.2 99.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.47 -0.332 . . . . 2.94 111.473 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -68.5 95.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.197 0.522 . . . . 1.97 111.05 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 9.7 p -96.41 -5.82 38.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.779 -0.646 . . . . 3.67 110.758 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 172.76 -176.22 45.65 Favored Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.637 -0.711 . . . . 3.19 111.546 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 70.63 29.17 69.92 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.974 -0.631 . . . . 2.95 111.799 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 39.0 t -165.15 135.57 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.981 0.419 . . . . 3.61 110.427 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -96.89 -11.55 24.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.44 0.638 . . . . 3.62 109.671 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -86.19 -4.28 84.13 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.204 -0.907 . . . . 1.32 112.686 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 1.5 m -66.3 -50.51 63.42 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.97 0.385 . . . . 1.5 110.956 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -72.67 -29.46 63.45 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.99 0.424 . . . . 3.65 110.365 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -67.15 -33.92 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 1.37 109.681 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.577 ' O ' ' HG3' ' A' ' 175' ' ' LYS . 73.2 t80 -61.81 -32.26 72.55 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.463 -0.789 . . . . 0.9 110.874 177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.419 ' HG3' ' HE2' ' A' ' 175' ' ' LYS . 36.3 tt0 -62.57 -49.17 76.32 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.131 0.491 . . . . 2.38 110.282 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -61.79 -30.07 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.664 . . . . 2.29 109.807 174.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.451 HH21 ' HB2' ' A' ' 65' ' ' LEU . 3.6 tmt_? -72.82 -29.6 63.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.285 -0.87 . . . . 3.45 110.916 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 171' ' ' PHE . 33.8 mtmt -64.7 -56.19 15.28 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.233 -0.654 . . . . 1.22 109.233 177.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.37 -34.0 77.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.267 -0.879 . . . . 1.35 110.802 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -58.25 -52.12 66.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 2.03 109.989 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.16 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.578 -0.737 . . . . 0.91 111.344 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 86.6 mt -56.72 -48.9 76.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 1.63 111.39 -176.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -68.7 -39.53 80.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.205 -0.452 . . . . 3.14 111.52 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 34.6 m -70.95 -40.93 71.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.197 0.523 . . . . 1.29 110.645 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 27.9 ttt -65.05 -42.73 93.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.769 -0.651 . . . . 0.66 110.639 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -66.86 -33.55 75.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.71 111.671 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 181' ' ' THR . 4.0 ptmm? -71.75 -40.79 69.11 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.6 0.714 . . . . 2.83 109.94 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.664 ' HB3' HG21 ' A' ' 73' ' ' THR . 45.4 mttp -73.94 -29.68 62.15 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.923 -1.035 . . . . 2.06 111.119 175.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.09 -31.32 72.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.034 -0.53 . . . . 1.16 110.971 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 93.0 mt -64.89 -34.64 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.989 -0.551 . . . . 2.35 110.52 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -70.37 -35.16 73.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 2.76 110.366 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.577 ' HG ' HG11 ' A' ' 76' ' ' VAL . 7.5 tt -59.94 -44.1 94.58 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.229 -0.656 . . . . 1.24 109.229 174.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.4 -43.18 93.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.525 -0.761 . . . . 2.24 110.668 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.77 -32.15 73.7 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.484 -0.326 . . . . 2.86 111.205 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' ILE . . . . . 0.611 HD12 HG12 ' A' ' 76' ' ' VAL . 20.4 mt -55.98 -52.28 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 1.24 110.218 175.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.643 ' O ' ' HG3' ' A' ' 197' ' ' ARG . 13.3 p -68.83 -42.24 77.46 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.769 -0.372 . . . . 1.75 111.198 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.78 -55.1 33.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 3.84 111.427 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.91 -43.59 74.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.516 . . . . 3.54 111.319 -174.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.482 ' O ' ' HB ' ' A' ' 200' ' ' ILE . 2.7 mm? -59.44 -27.8 66.39 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 111.962 0.356 . . . . 3.31 111.962 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' ARG . . . . . 0.643 ' HG3' ' O ' ' A' ' 193' ' ' THR . 65.3 mtp180 -53.42 -26.65 20.76 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.349 0.522 . . . . 6.05 111.212 175.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -106.86 -45.1 4.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.854 0.359 . . . . 4.3 110.474 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.63 -2.78 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.601 0.593 . . . . 5.29 112.601 -174.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.97 HG13 ' HA2' ' A' ' 84' ' ' GLY . 18.3 tt -78.08 -25.78 14.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.872 0.367 . . . . 3.27 110.042 177.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.558 ' N ' ' HD2' ' A' ' 202' ' ' PRO . 19.2 mm-40 -44.46 -42.64 14.16 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 115.518 1.673 . . . . 6.5 115.518 -172.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 201' ' ' GLU . 7.7 Cg_endo -51.65 -15.87 3.23 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.686 2.257 . . . . 6.81 114.215 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . 0.731 ' HG3' ' H ' ' A' ' 204' ' ' LEU . 15.2 pttp -40.57 -74.02 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.772 1.026 . . . . 6.75 113.772 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.731 ' H ' ' HG3' ' A' ' 203' ' ' LYS . 3.5 mm? -74.8 -28.75 60.85 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 121.105 -0.238 . . . . 6.12 111.447 -175.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.24 -46.01 88.91 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.835 0.35 . . . . 9.31 110.365 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 206' ' ' LYS . 15.8 tppt? -61.38 -54.46 43.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.92 -0.582 . . . . 10.45 110.475 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 123' ' ' ILE . 5.3 tt -57.09 -40.0 76.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.342 -0.844 . . . . 7.6 111.308 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.453 ' HG3' ' HD2' ' A' ' 212' ' ' ARG . 38.7 ttt180 -68.72 -50.36 51.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.616 -0.265 . . . . 9.48 110.909 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -68.6 -44.56 74.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.872 0.368 . . . . 12.83 111.544 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -83.71 -55.59 4.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.311 -0.404 . . . . 10.85 111.872 -172.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' LYS . . . . . 0.786 ' HG3' HD12 ' A' ' 215' ' ' LEU . 37.9 ttmt -78.31 -56.61 4.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.825 0.305 . . . . 10.09 111.825 -173.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.517 HH21 HG21 ' A' ' 123' ' ' ILE . 99.2 mtt180 -60.18 -53.31 59.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.741 0.305 . . . . 12.5 111.567 -174.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.888 ' HA ' ' HD2' ' A' ' 217' ' ' PHE . . . -63.9 -57.89 8.44 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.546 0.572 . . . . 13.01 112.546 -172.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.64 ' O ' ' HB2' ' A' ' 218' ' ' GLN . 73.4 t80 -73.7 -36.64 65.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.153 0.427 . . . . 13.47 112.153 -171.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.786 HD12 ' HG3' ' A' ' 211' ' ' LYS . 84.3 mt -78.68 -52.58 8.21 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.472 -0.491 . . . . 11.97 111.774 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' ASP . . . . . 0.522 ' CG ' HG21 ' A' ' 119' ' ' VAL . 18.9 t0 -78.72 -65.55 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.435 0.531 . . . . 12.73 112.435 -174.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . 0.888 ' HD2' ' HA ' ' A' ' 213' ' ' ALA . 42.4 m-85 -64.76 -40.31 95.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 13.81 111.753 -170.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . 0.64 ' HB2' ' O ' ' A' ' 214' ' ' PHE . 27.4 mm-40 -73.63 96.5 2.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.334 0.588 . . . . 15.46 111.02 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -89.69 -39.42 13.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.608 -0.723 . . . . 15.41 109.54 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 13.1 p -119.34 162.98 17.87 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.309 -0.86 . . . . 17.57 110.144 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . 0.414 ' H ' ' HG2' ' A' ' 221' ' ' GLN . 1.6 pt20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.967 -0.539 . . . . 17.45 111.221 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 112.023 -0.431 . . . . 21.3 112.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -159.73 102.21 1.5 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.4 -0.592 . . . . 20.91 109.4 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.6 ttm -92.79 -42.3 9.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.399 -0.364 . . . . 18.53 111.043 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -104.8 101.33 10.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.072 0.463 . . . . 17.71 111.06 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.53 113.41 25.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.847 -0.615 . . . . 14.57 110.26 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -104.51 116.76 48.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.063 -0.517 . . . . 12.18 110.39 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 23.9 p -103.16 134.7 19.63 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.273 -0.421 . . . . 9.93 110.327 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 7' ' ' THR . 5.7 Cg_exo -78.56 13.81 1.78 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 123.233 2.622 . . . . 8.73 112.638 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.6 tpt -115.24 85.56 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.857 0.36 . . . . 8.19 110.389 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 21.2 tptm 177.57 91.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.71 . . . . 6.67 109.872 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -163.54 142.99 8.34 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.893 -0.594 . . . . 6.27 109.592 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 61.4 t -67.33 125.48 91.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.545 -0.539 . . . . 3.08 109.545 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 12' ' ' VAL . 2.6 Cg_endo -46.71 119.25 3.13 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.334 2.689 . . . . 1.71 112.834 -177.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mt -61.31 -34.73 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.429 -0.805 . . . . 2.27 110.052 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 7.8 mp -62.5 -46.87 86.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.357 -0.838 . . . . 2.13 110.097 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.68 90.9 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.0 -0.545 . . . . 1.02 111.21 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -60.97 -44.78 96.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.073 0.463 . . . . 2.23 110.067 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.557 ' O ' ' HG2' ' A' ' 22' ' ' MET . 60.8 t80 -63.81 -39.85 95.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.594 -0.73 . . . . 1.52 110.755 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 27.2 mm-40 -59.1 -54.09 51.02 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.125 -0.489 . . . . 2.43 111.557 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.79 -35.05 79.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.886 0.374 . . . . 1.99 110.486 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.569 ' CZ3' ' HE1' ' A' ' 43' ' ' TYR . 9.7 m0 -58.99 -46.04 89.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.954 -0.566 . . . . 1.14 110.697 175.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 26.6 mmt -62.13 -43.25 99.25 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.296 -0.411 . . . . 1.4 110.371 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -59.46 -45.83 90.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 3.34 110.672 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.8 ttm -71.82 -40.07 69.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.97 -0.559 . . . . 1.35 111.234 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.57 -44.8 73.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 1.17 111.636 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -66.99 -35.46 80.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 1.45 111.408 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.76 -3.45 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.937 0.398 . . . . 2.5 110.688 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.9 m120 62.82 37.83 12.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.752 -0.658 . . . . 2.34 112.0 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -108.46 26.9 9.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.261 0.553 . . . . 3.29 111.047 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 35' ' ' SER . 5.1 tt -81.97 112.07 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.845 -0.616 . . . . 0.81 110.006 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.646 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 41.1 m-80 -69.35 146.2 52.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.02 -0.537 . . . . 2.15 109.819 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 35' ' ' SER . . . -66.96 -31.19 71.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.741 0.305 . . . . 1.0 111.179 -178.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.7 -48.32 77.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.19 0.519 . . . . 1.24 110.815 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.646 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 2.0 p-10 -99.14 14.93 27.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.965 -0.561 . . . . 1.45 111.018 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 20.5 t -66.31 -22.96 66.3 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.806 -1.183 . . . . 1.07 107.806 171.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -74.49 138.82 43.44 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.796 -1.093 . . . . 0.9 109.276 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 69.27 4.81 4.78 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.937 -1.029 . . . . 2.37 111.5 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -104.49 24.89 10.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.845 0.355 . . . . 1.61 110.478 177.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.9 119.66 20.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.239 0.542 . . . . 1.04 111.237 -175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.672 HD13 HG13 ' A' ' 71' ' ' ILE . 8.7 mp -70.45 -20.92 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.467 -0.788 . . . . 1.62 109.993 174.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.852 ' HA ' ' HD2' ' A' ' 44' ' ' PHE . 12.6 mt -65.79 -29.62 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 114.638 -1.165 . . . . 1.81 112.327 -170.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.75 -31.65 72.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 2.45 110.757 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' HE1' ' CZ3' ' A' ' 21' ' ' TRP . 67.0 m-85 -71.59 -29.36 64.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 1.91 112.021 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.852 ' HD2' ' HA ' ' A' ' 41' ' ' ILE . 73.9 m-85 -58.01 -34.03 69.58 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.633 0.234 . . . . 2.0 111.633 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CE1' ' HG2' ' A' ' 146' ' ' LYS . 33.2 m170 -66.3 -46.45 76.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.683 -0.235 . . . . 1.33 111.059 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.35 -50.76 71.6 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.552 -0.536 . . . . 2.94 109.552 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.1 ttt 71.52 -14.89 0.46 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.301 -0.863 . . . . 1.99 112.356 172.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -58.73 -26.07 63.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.478 0.548 . . . . 3.73 112.478 -174.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD22 ' HG ' ' A' ' 15' ' ' LEU . 64.3 mt -89.45 -9.45 50.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.944 0.402 . . . . 2.19 111.36 -175.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD21 HG21 ' A' ' 64' ' ' THR . 97.1 mt -111.76 -30.76 7.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.467 0.651 . . . . 3.39 110.018 178.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 29.0 ttpp -83.03 137.72 34.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.354 -0.839 . . . . 3.18 109.898 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -119.3 99.1 6.49 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.184 -0.673 . . . . 2.55 109.184 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.85 -114.0 3.74 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.774 -0.727 . . . . 1.64 111.898 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -102.75 -11.67 18.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.763 0.316 . . . . 2.87 111.112 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.4 t -127.47 163.59 23.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.742 -0.466 . . . . 1.64 109.742 -175.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 7.1 p -113.12 132.59 61.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.385 0.612 . . . . 0.63 111.335 -174.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.436 ' HB2' ' HG2' ' A' ' 60' ' ' LYS . 12.3 m120 -70.31 101.73 1.98 Allowed 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.082 -0.963 . . . . 2.33 109.852 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.707 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 61.0 m-85 -62.89 -10.31 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.82 110.418 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -71.82 -58.71 3.23 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.286 -0.635 . . . . 1.65 109.286 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HG2' ' HB2' ' A' ' 57' ' ' ASN . 7.2 ptpp? -71.61 -27.64 63.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.834 -0.621 . . . . 2.25 110.321 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.707 ' HB3' ' HA ' ' A' ' 58' ' ' PHE . . . -65.98 -44.03 86.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.62 111.304 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.725 ' HB2' ' HG2' ' A' ' 174' ' ' ARG . 55.9 p -66.09 -39.52 90.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.884 0.373 . . . . 1.13 110.466 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.88 -45.06 94.34 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.014 -0.539 . . . . 0.99 110.766 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.51 HG21 HD21 ' A' ' 50' ' ' LEU . 17.3 p -75.18 -28.9 60.24 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.326 -0.397 . . . . 1.36 111.67 -178.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' CYS . 50.4 tp -68.38 -43.31 77.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.098 0.475 . . . . 1.52 109.92 176.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.58 -46.59 85.17 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.842 -0.617 . . . . 0.82 110.303 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.459 ' O ' HG12 ' A' ' 71' ' ' ILE . . . -62.09 -32.11 81.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.388 -0.823 . . . . 0.56 111.764 176.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.616 ' SG ' HG12 ' A' ' 41' ' ' ILE . 51.8 t -60.2 -41.99 94.15 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.519 0.327 . . . . 1.16 110.563 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.06 -40.13 82.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.103 0.478 . . . . 1.54 110.106 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -66.67 -50.77 61.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 2.91 111.111 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.672 HG13 HD13 ' A' ' 40' ' ' LEU . 49.4 mm -60.96 -38.99 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.011 0.434 . . . . 1.22 110.877 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.601 ' HE2' HD22 ' A' ' 189' ' ' LEU . 46.6 t80 -58.41 -56.04 27.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.86 110.312 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 p -70.96 -26.16 63.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.015 -0.539 . . . . 0.65 111.531 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.3 t -59.89 -40.22 87.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.075 0.464 . . . . 1.3 109.878 174.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.0 mtp180 -73.03 -33.51 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 1.69 110.39 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 72' ' ' TYR . 56.1 t -61.65 -46.44 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.081 0.467 . . . . 0.78 109.992 175.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.43 -39.11 78.9 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.732 -0.667 . . . . 1.87 110.373 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.8 m -61.99 -38.26 87.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.086 -0.506 . . . . 1.25 110.873 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 75' ' ' ARG . 27.3 t -62.1 -48.56 87.91 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 N-CA-C 110.098 -0.334 . . . . 1.4 110.098 176.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.12 75.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 1.45 110.888 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 m -69.25 -33.58 73.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.877 -0.602 . . . . 1.96 110.302 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.407 ' OE1' ' HD2' ' A' ' 85' ' ' LYS . 15.2 tp10 -77.24 -31.85 55.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.079 0.466 . . . . 2.42 109.853 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.408 HG23 HD13 ' A' ' 200' ' ' ILE . 45.7 m -61.24 -44.58 97.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.656 -0.702 . . . . 3.15 110.011 175.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.65 -33.41 77.23 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.253 -0.885 . . . . 4.2 112.883 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 51.2 mttp -63.52 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.889 0.344 . . . . 4.88 111.241 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD13 ' HE2' ' A' ' 203' ' ' LYS . 63.5 mt -72.92 -38.44 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.86 0.362 . . . . 5.71 110.77 178.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.9 -38.95 76.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.024 -0.534 . . . . 6.68 110.452 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -67.97 -30.98 70.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 8.18 109.864 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.49 -26.93 67.11 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.994 -0.548 . . . . 8.78 112.572 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.514 HD21 ' HG3' ' A' ' 203' ' ' LYS . 96.7 mt -72.19 -40.4 67.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.118 0.485 . . . . 8.69 110.349 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.85 -8.33 59.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.747 -0.66 . . . . 10.13 111.137 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.85 -32.33 73.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 12.11 110.615 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 p -134.56 96.25 3.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.724 -0.671 . . . . 11.17 109.984 175.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -97.2 -19.7 18.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 11.37 111.417 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -106.46 111.48 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 13.64 110.731 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.4 m -103.18 8.37 38.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.98 -0.555 . . . . 13.75 110.665 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -77.76 79.78 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.355 0.598 . . . . 16.1 110.181 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -125.24 138.04 54.11 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.448 -0.797 . . . . 14.61 110.213 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -93.08 129.44 39.05 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 109.525 -0.546 . . . . 16.89 109.525 173.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -98.88 147.16 25.23 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.111 -0.495 . . . . 14.47 109.875 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -67.0 -36.79 82.94 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.308 -0.627 . . . . 17.73 109.308 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.37 111.23 12.83 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.954 -1.021 . . . . 14.83 109.863 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -79.61 -32.67 41.84 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.994 -0.548 . . . . 16.07 109.751 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 127.26 115.48 1.93 Allowed Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.416 -0.811 . . . . 14.74 111.493 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.34 141.91 47.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.0 -0.619 . . . . 15.53 112.506 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -74.89 -35.22 50.99 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.757 -0.735 . . . . 15.58 111.434 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.1 t 74.83 -44.97 0.56 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.812 0.845 . . . . 15.74 111.813 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.23 67.8 0.74 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.746 -0.74 . . . . 16.77 111.415 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 129.98 32.78 0.53 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.319 -0.712 . . . . 17.08 111.319 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.3 t -131.91 95.36 3.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.964 0.411 . . . . 17.9 110.014 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.05 -68.23 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.058 -0.519 . . . . 16.88 110.06 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 9.1 ptm180 -99.96 110.93 23.25 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.313 0.577 . . . . 15.45 109.751 173.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -78.77 79.66 5.17 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.361 -0.607 . . . . 17.68 109.361 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -170.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.553 -0.749 . . . . 14.48 112.718 -172.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.596 HD11 ' HE2' ' A' ' 217' ' ' PHE . 45.7 mt -78.46 118.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.101 -0.954 . . . . 11.8 110.742 -174.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.421 HD22 ' N ' ' A' ' 116' ' ' ASN . 0.9 OUTLIER -73.52 131.12 82.87 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.393 -0.595 . . . . 11.37 109.393 174.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.29 -21.06 58.59 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.621 2.214 . . . . 10.68 111.733 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -66.38 -26.03 67.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.61 -0.723 . . . . 10.74 110.874 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.587 HG11 ' HD3' ' A' ' 212' ' ' ARG . 86.9 t -65.89 -37.07 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.365 0.603 . . . . 8.53 109.934 177.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.51 ' HE1' HG21 ' A' ' 115' ' ' ILE . 0.5 OUTLIER -68.98 -13.13 62.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.584 -0.735 . . . . 8.74 111.541 178.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.485 HD22 ' N ' ' A' ' 121' ' ' ASN . 0.9 OUTLIER -71.34 -24.83 62.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.3 0.571 . . . . 7.33 109.516 176.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 53.5 ttp -74.47 -37.75 63.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.762 -0.654 . . . . 7.24 109.951 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.581 ' O ' HG22 ' A' ' 126' ' ' VAL . 46.9 mm -65.67 -29.06 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.335 -0.848 . . . . 5.24 110.581 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 16.9 t70 -49.39 -29.91 7.05 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.806 -0.634 . . . . 4.69 111.77 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.6 t -54.88 -49.64 70.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.07 -0.513 . . . . 4.02 111.117 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 123' ' ' ILE . 17.0 m -72.44 -30.83 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.561 0.22 . . . . 3.81 110.843 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.468 ' HG2' HD21 ' A' ' 204' ' ' LEU . 44.1 mt-10 -65.46 -52.26 54.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.424 . . . . 4.32 111.029 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 124' ' ' ASP . 21.7 ptmt -66.02 -35.92 81.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.335 -0.393 . . . . 4.42 111.185 -176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -69.09 -34.77 75.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.022 0.439 . . . . 4.65 110.35 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -63.52 -39.21 93.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.929 -0.578 . . . . 3.16 110.423 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.37 -32.74 71.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.626 -0.715 . . . . 3.28 110.622 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.1 m -66.81 -31.97 72.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 1.58 110.837 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.463 ' HB3' HD21 ' A' ' 196' ' ' LEU . 4.5 mm? -65.45 -46.71 78.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.971 0.415 . . . . 1.83 110.308 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.47 -39.6 88.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.768 -0.651 . . . . 3.67 109.813 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -56.73 -50.59 71.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.648 -0.705 . . . . 1.73 111.204 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 69.7 mtm -62.9 -37.68 87.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.738 -0.21 . . . . 1.05 111.06 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 12.2 mmt -58.41 -50.26 74.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 1.44 110.629 174.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -57.58 -36.76 72.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.204 -0.453 . . . . 3.44 110.665 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.435 HG22 HH22 ' A' ' 75' ' ' ARG . 54.5 m -66.86 -52.82 38.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.639 -0.709 . . . . 1.16 111.627 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.632 HG13 HD12 ' A' ' 141' ' ' LEU . 10.8 p -66.3 -39.32 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 120.989 -0.284 . . . . 1.15 111.56 -175.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.632 HD12 HG13 ' A' ' 140' ' ' VAL . 7.5 mp -65.27 -27.49 68.68 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.08 -0.388 . . . . 1.45 111.379 174.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -67.77 -33.55 75.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 3.01 109.841 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.513 ' HB3' HD12 ' A' ' 41' ' ' ILE . 7.6 m-20 -67.1 -31.39 71.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.031 -0.531 . . . . 1.64 110.432 175.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 141' ' ' LEU . 38.2 ttpt -58.74 -41.52 86.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.755 -0.461 . . . . 1.8 109.755 174.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.482 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 29.1 m170 -61.47 -39.26 90.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.705 -0.68 . . . . 0.84 110.656 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.53 ' HG2' ' CE1' ' A' ' 45' ' ' HIS . 87.0 mttt -59.75 -39.9 86.34 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.242 0.544 . . . . 2.66 110.117 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 143' ' ' ASP . 69.6 mt -61.82 -48.06 90.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.544 -0.753 . . . . 0.59 110.308 178.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 144' ' ' LYS . 63.1 mm-40 -53.33 -48.76 68.19 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.836 -0.62 . . . . 2.39 111.012 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 145' ' ' HIS . 41.3 mt-10 -62.44 -46.59 87.86 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.62 -0.718 . . . . 2.47 111.143 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 24.3 m -64.23 -44.05 93.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.94 -0.573 . . . . 0.71 111.379 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.6 -46.37 90.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.602 0.239 . . . . 1.05 110.91 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.94 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.49 110.876 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.9 m -68.18 -49.57 60.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.54 110.693 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.13 -40.19 95.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.282 -0.417 . . . . 1.37 110.92 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.463 ' HA ' ' HE2' ' A' ' 171' ' ' PHE . 23.0 t70 -63.52 -29.58 70.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.961 -0.563 . . . . 0.78 110.772 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.89 -36.88 64.83 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.284 -0.416 . . . . 2.52 110.315 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -61.42 -46.11 91.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.636 -0.505 . . . . 0.92 109.636 172.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' ' 158' ' ' LYS . 11.9 ttpt -59.55 -36.86 77.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 1.93 110.855 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -64.28 -48.59 75.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.698 -0.683 . . . . 3.78 111.164 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -71.45 -28.7 64.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.681 0.277 . . . . 2.94 111.083 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -69.83 160.92 30.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.164 0.507 . . . . 1.97 111.052 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 15.8 m -76.91 133.97 39.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.752 -0.658 . . . . 3.67 110.505 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.494 ' HA2' HG21 ' A' ' 168' ' ' THR . . . -69.42 -26.61 74.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.948 -0.644 . . . . 3.19 112.587 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -80.95 -3.46 90.61 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.98 -0.629 . . . . 2.95 112.61 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 64.8 m -81.8 149.82 28.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.646 0.26 . . . . 3.61 110.378 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -73.47 135.26 44.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.414 -0.357 . . . . 3.62 110.115 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 109.95 -38.87 3.11 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.845 -0.693 . . . . 1.32 111.64 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.494 HG21 ' HA2' ' A' ' 163' ' ' GLY . 5.1 m -59.18 -49.32 78.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.061 0.458 . . . . 1.5 110.967 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -72.0 -33.03 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.868 -0.605 . . . . 3.65 110.21 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 58.4 ttp -63.7 -44.35 93.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 1.37 110.259 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.463 ' HE2' ' HA ' ' A' ' 155' ' ' ASP . 84.0 t80 -68.41 -44.04 75.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.014 -0.539 . . . . 0.9 110.914 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.86 -45.74 85.88 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.276 0.56 . . . . 2.38 110.12 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.65 -43.72 92.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.158 -0.928 . . . . 2.29 111.24 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.725 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 16.3 tpp180 -67.5 -38.0 83.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 3.45 111.049 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 179' ' ' LEU . 36.2 ttpt -61.58 -51.57 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.602 -0.272 . . . . 1.22 111.071 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.03 -36.61 80.0 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.132 -0.227 . . . . 1.35 111.13 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.0 -41.7 74.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.731 0.3 . . . . 2.03 110.538 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.53 95.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.91 110.721 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 175' ' ' LYS . 87.0 mt -67.24 -35.35 79.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.085 0.469 . . . . 1.63 110.589 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.77 -52.32 57.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 3.14 110.607 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . 0.474 ' O ' ' HD3' ' A' ' 185' ' ' LYS . 13.2 t -71.16 -32.55 69.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.297 -0.41 . . . . 1.29 110.511 -178.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 26.6 ttt -60.6 -39.16 87.14 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.403 -0.221 . . . . 0.66 110.403 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . 0.53 ' O ' ' HG ' ' A' ' 187' ' ' LEU . . . -62.93 -38.68 91.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.876 0.37 . . . . 0.71 110.838 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -67.67 -41.3 83.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 2.83 110.819 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 181' ' ' THR . 5.0 mptp? -69.81 -35.18 74.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 2.06 110.391 176.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 189' ' ' LEU . 10.3 t70 -62.07 -34.04 75.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 1.16 110.892 178.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 183' ' ' ALA . 93.2 mt -59.13 -48.74 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 2.35 111.086 178.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 188' ' ' LYS . 0.2 OUTLIER -77.68 -30.17 51.81 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.019 -0.272 . . . . 2.76 110.809 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.601 HD22 ' HE2' ' A' ' 72' ' ' TYR . 8.0 tp -56.18 -61.8 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 1.24 110.746 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -67.67 -25.88 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 2.24 110.904 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -61.18 -44.45 97.28 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.719 -0.475 . . . . 2.86 109.719 174.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.9 -40.51 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 1.24 110.489 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 5.4 m -60.24 -44.28 95.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.86 0.362 . . . . 1.75 111.213 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -69.27 -47.39 64.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.364 . . . . 3.84 110.76 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.7 tp -56.51 -43.52 79.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.936 -0.575 . . . . 3.54 110.605 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 133' ' ' LEU . 49.6 tp -55.04 -57.87 9.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.861 -0.609 . . . . 3.31 110.787 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -60.18 -33.95 72.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.433 -0.349 . . . . 6.05 111.571 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -82.08 -33.82 29.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.985 0.365 . . . . 4.3 111.985 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -96.36 -30.9 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.104 0.409 . . . . 5.29 112.104 -173.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.572 ' O ' ' HB3' ' A' ' 203' ' ' LYS . 5.8 tp -78.27 -25.85 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 3.27 111.055 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.45 ' N ' ' HD2' ' A' ' 202' ' ' PRO . 12.0 tp10 -64.78 -55.86 25.47 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 116.089 -0.505 . . . . 6.5 112.038 -177.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 201' ' ' GLU . 18.1 Cg_endo -60.15 -16.41 39.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 122.436 2.09 . . . . 6.81 112.671 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 200' ' ' ILE . 17.1 ttpp -54.78 -34.82 63.14 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.94 0.4 . . . . 6.75 110.727 175.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.468 HD21 ' HG2' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -71.01 -49.04 49.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 6.12 110.511 -178.687 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.77 -35.01 78.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.165 0.507 . . . . 9.31 109.967 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.83 ' HE3' ' HA ' ' A' ' 206' ' ' LYS . 0.4 OUTLIER -64.41 -58.0 7.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.399 -0.819 . . . . 10.45 111.297 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 25.2 tp -71.81 -47.6 52.23 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.184 0.438 . . . . 7.6 112.184 -176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.47 ' HB2' HG21 ' A' ' 123' ' ' ILE . 72.2 ttt180 -70.66 -52.63 19.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.078 0.399 . . . . 9.48 112.078 -172.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -70.63 -49.99 41.62 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.929 0.344 . . . . 12.83 111.929 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.8 -38.06 89.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.925 -0.58 . . . . 10.85 111.144 -173.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -57.79 -46.41 84.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 10.09 110.585 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.587 ' HD3' HG11 ' A' ' 119' ' ' VAL . 22.7 mmm180 -81.93 -25.7 34.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.346 -0.388 . . . . 12.5 111.087 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' ' 217' ' ' PHE . . . -68.59 -43.69 75.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.009 0.433 . . . . 13.01 110.438 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -73.41 -51.1 18.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.92 -0.582 . . . . 13.47 111.105 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 88.8 mt -79.34 -55.89 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.246 0.461 . . . . 11.97 112.246 -175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 212' ' ' ARG . 14.7 t70 -77.31 -59.07 2.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.498 -0.319 . . . . 12.73 111.493 -171.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . 0.596 ' HE2' HD11 ' A' ' 115' ' ' ILE . 8.7 m-85 -62.82 -65.47 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 13.81 112.027 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -80.41 75.56 7.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.837 -0.62 . . . . 15.46 111.403 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -73.2 -36.89 66.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.682 -0.69 . . . . 15.41 109.813 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 33.7 p -107.73 138.91 43.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.174 -0.921 . . . . 17.57 110.355 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.564 -0.731 . . . . 17.45 110.736 179.737 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.162 -0.375 . . . . 21.3 112.162 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 66.46 -80.67 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.386 0.674 . . . . 20.91 111.729 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -162.91 168.67 20.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.619 -0.511 . . . . 18.53 109.619 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 4' ' ' ARG . 16.2 tpt180 -125.26 135.91 53.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.701 0.286 . . . . 17.71 110.465 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.58 141.81 53.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 14.57 111.29 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -101.27 151.85 5.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.663 -0.699 . . . . 12.18 110.361 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -65.2 121.55 75.04 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.868 0.366 . . . . 9.93 110.821 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.93 -41.19 30.59 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.644 2.23 . . . . 8.73 112.543 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.2 tpt -103.77 83.98 2.21 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.677 -0.692 . . . . 8.19 110.94 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 1.8 tmtp? -173.2 98.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.415 -0.811 . . . . 6.67 108.832 175.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -124.8 -42.24 2.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.043 -0.526 . . . . 6.27 110.421 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -89.13 139.46 28.76 Favored Pre-proline 0 N--CA 1.444 -0.748 0 CA-C-N 116.027 -0.533 . . . . 3.08 110.076 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -57.76 141.28 95.6 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.519 2.146 . . . . 1.71 111.769 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mm -57.14 -38.58 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.948 -0.569 . . . . 2.27 111.51 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 16' ' ' ALA . 3.6 pp -58.68 -29.88 66.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.027 -0.533 . . . . 2.13 112.049 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -74.98 -28.59 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 1.02 111.238 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -70.7 -35.96 73.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.147 0.499 . . . . 2.23 110.045 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.455 ' O ' ' HG2' ' A' ' 22' ' ' MET . 37.2 t80 -76.23 -26.46 56.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.196 0.522 . . . . 1.52 110.171 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -67.14 -43.13 83.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 2.43 111.837 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.44 -32.72 74.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.066 0.46 . . . . 1.99 110.014 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -61.83 -39.06 90.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.703 -0.68 . . . . 1.14 110.659 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 29.0 mmt -66.85 -39.66 87.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 1.4 110.347 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.91 -36.9 85.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.157 0.503 . . . . 3.34 110.415 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.998 ' HG3' ' HG3' ' A' ' 29' ' ' LYS . 38.1 ttm -74.24 -38.81 63.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.12 -0.491 . . . . 1.35 110.918 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.79 79.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 1.17 112.2 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.3 p -59.69 -45.69 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.047 0.451 . . . . 1.45 111.403 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.43 -0.52 57.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.792 -0.64 . . . . 2.5 110.669 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 t30 55.88 39.46 30.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.166 -0.924 . . . . 2.34 111.111 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.998 ' HG3' ' HG3' ' A' ' 24' ' ' MET . 18.5 ptmt -91.56 20.74 5.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.047 -0.524 . . . . 3.29 110.44 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' A' ' 35' ' ' SER . 5.2 tt -80.18 114.74 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.604 -0.725 . . . . 0.81 110.084 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.418 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 45.0 m-80 -82.67 146.11 29.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.071 -0.513 . . . . 2.15 110.184 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.519 ' HA ' ' OG ' ' A' ' 35' ' ' SER . . . -62.51 -31.08 71.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.994 -173.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.31 75.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.899 0.38 . . . . 1.24 110.914 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 2.1 p-10 -111.42 13.56 21.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.41 -0.359 . . . . 1.45 111.662 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' HD11 ' A' ' 30' ' ' ILE . 69.5 m -63.96 -26.8 68.74 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.97 0.891 . . . . 1.07 108.745 171.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.45 ' O ' ' HB3' ' A' ' 37' ' ' ASN . 28.3 m95 -88.03 135.36 33.45 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.645 -1.161 . . . . 0.9 108.751 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 36' ' ' TRP . 28.7 t-20 80.23 0.25 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.768 1.293 . . . . 2.37 110.023 -171.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -105.17 23.39 13.73 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.867 -0.606 . . . . 1.61 109.733 172.369 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.23 119.44 14.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.246 -0.434 . . . . 1.04 111.128 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.641 HD13 HD13 ' A' ' 71' ' ' ILE . 7.2 mp -69.3 -25.24 64.13 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.875 -0.602 . . . . 1.62 110.926 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 44' ' ' PHE . 9.7 tp -59.62 -28.82 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 1.81 111.799 -174.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.1 -47.71 84.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.119 0.485 . . . . 2.45 110.157 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.431 ' HB3' HD21 ' A' ' 49' ' ' LEU . 86.8 m-85 -84.62 -30.67 24.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.524 -0.762 . . . . 1.91 111.303 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' HB3' ' HA ' ' A' ' 41' ' ' ILE . 21.9 t80 -59.81 -33.42 71.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.407 -0.36 . . . . 2.0 110.658 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -23.46 67.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 1.33 110.894 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 47' ' ' MET . 12.9 t70 -100.54 1.02 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.581 . . . . 2.94 109.582 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 63.6 mtt 73.07 176.28 0.27 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.243 -0.889 . . . . 1.99 111.541 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.5 m -52.36 130.33 30.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.678 -0.692 . . . . 3.73 111.072 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 43' ' ' TYR . 4.6 mm? -66.98 -18.85 65.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 2.19 111.313 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.01 23.6 4.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.37 -0.377 . . . . 3.39 110.836 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -70.18 169.43 13.63 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.65 -0.5 . . . . 3.18 109.65 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -105.1 96.93 6.87 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.902 0.382 . . . . 2.55 110.338 -176.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.74 -107.87 2.18 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.337 -0.705 . . . . 1.64 111.337 -175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -112.07 -2.8 14.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.431 -0.581 . . . . 2.87 109.431 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 t -88.89 149.66 23.24 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.585 -0.734 . . . . 1.64 109.129 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.55 131.36 71.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.577 0.703 . . . . 0.63 110.972 -173.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.694 ' HB2' ' HG2' ' A' ' 60' ' ' LYS . 6.3 m120 -80.41 113.85 18.88 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.948 -1.024 . . . . 2.33 108.381 177.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.5 ' HB3' ' HB2' ' A' ' 171' ' ' PHE . 47.4 m-85 -63.87 -11.26 26.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.417 -0.356 . . . . 0.82 111.076 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' HA ' ' HE1' ' A' ' 170' ' ' MET . 9.7 tt0 -72.54 -58.31 3.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.272 0.558 . . . . 1.65 110.014 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -68.89 -30.94 69.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.471 -0.786 . . . . 2.25 110.634 178.041 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' A' ' 154' ' ' LEU . . . -65.96 -38.08 87.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.62 110.203 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.0 t -57.68 -48.92 78.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.71 -0.677 . . . . 1.13 110.293 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.16 -40.64 96.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.99 110.838 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.2 m -63.03 -44.19 96.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 1.36 110.715 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.23 -50.45 73.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.016 0.436 . . . . 1.52 110.676 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.33 -40.39 86.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.642 . . . . 0.82 110.953 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.81 -35.67 90.0 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.849 -0.614 . . . . 0.56 112.518 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.4 m -62.52 -40.56 97.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.473 0.137 . . . . 1.16 110.892 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.31 -42.79 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 120.989 0.423 . . . . 1.54 110.628 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -60.91 -51.87 67.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.672 -0.694 . . . . 2.91 111.134 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.641 HD13 HD13 ' A' ' 40' ' ' LEU . 14.4 tt -72.39 -34.12 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.167 -0.469 . . . . 1.22 111.153 -176.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.466 ' HE1' ' O ' ' A' ' 140' ' ' VAL . 57.6 t80 -54.66 -53.31 56.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.953 0.406 . . . . 0.86 110.978 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.717 HG21 ' HB3' ' A' ' 185' ' ' LYS . 7.0 p -71.28 -28.83 64.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.086 -0.506 . . . . 0.65 111.378 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.9 m -70.4 -26.6 63.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.109 0.481 . . . . 1.3 110.461 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -72.57 -29.14 63.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.79 -0.448 . . . . 1.69 109.79 173.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.912 HG12 HG13 ' A' ' 192' ' ' ILE . 21.7 t -68.33 -40.24 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.613 0.72 . . . . 0.78 109.435 172.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.7 -36.85 72.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 1.87 109.829 171.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.9 m -69.89 -37.86 76.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.516 -0.765 . . . . 1.25 111.866 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 76' ' ' VAL . 13.9 p -63.93 -40.13 87.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 C-N-CA 120.41 -0.516 . . . . 1.4 110.553 -178.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB2' HG23 ' A' ' 192' ' ' ILE . . . -70.12 -31.71 69.38 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.558 -0.457 . . . . 1.45 111.265 176.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.514 HG22 ' HE2' ' A' ' 85' ' ' LYS . 87.4 m -59.8 -32.18 70.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.235 0.54 . . . . 1.96 110.094 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -70.06 -49.31 52.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 2.42 110.423 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.719 HG21 ' HB3' ' A' ' 199' ' ' GLU . 0.2 OUTLIER -59.92 -43.12 95.1 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.015 -0.539 . . . . 3.15 111.646 -175.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -56.92 -36.48 73.52 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.069 -0.586 . . . . 4.2 112.54 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.514 ' HE2' HG22 ' A' ' 81' ' ' THR . 51.4 mttm -72.95 -34.38 66.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.854 0.359 . . . . 4.88 110.785 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 84.3 mt -72.7 -45.55 58.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 5.71 110.378 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.801 HD11 ' HA ' ' A' ' 199' ' ' GLU . 89.6 mt -61.46 -35.67 78.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 6.68 110.668 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.2 t -57.75 -37.68 74.05 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.856 -0.611 . . . . 8.18 110.284 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -80.03 -32.42 35.99 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.007 -0.616 . . . . 8.78 112.189 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.684 HD21 ' HE2' ' A' ' 129' ' ' LYS . 82.0 mt -66.14 -29.65 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.647 0.261 . . . . 8.69 111.193 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.05 70.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 10.13 110.828 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -67.49 -29.2 68.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.812 -0.631 . . . . 12.11 110.722 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.0 t -76.32 -9.92 59.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.993 -0.549 . . . . 11.17 110.679 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -81.35 -28.07 34.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.971 0.415 . . . . 11.37 110.734 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.05 109.03 19.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.877 -0.602 . . . . 13.64 110.351 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.1 t -76.61 101.89 5.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.331 -0.618 . . . . 13.75 109.331 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 97' ' ' LYS . 37.0 ttmt -69.0 -47.33 65.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.059 -0.519 . . . . 16.1 110.387 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -69.61 119.48 13.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.285 -0.416 . . . . 14.61 109.916 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.23 116.98 5.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.044 -0.525 . . . . 16.89 110.724 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -78.11 145.12 35.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.852 -0.613 . . . . 14.47 110.2 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -74.37 -65.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.856 0.36 . . . . 17.73 110.386 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -151.38 120.85 6.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 14.83 110.756 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 t70 70.39 -66.13 0.29 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.624 -0.716 . . . . 16.07 111.777 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 133.35 -35.15 2.32 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.435 -0.666 . . . . 14.74 111.435 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.06 -169.77 23.21 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.398 -0.681 . . . . 15.53 111.398 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -105.97 -123.87 5.23 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.534 -0.841 . . . . 15.58 111.86 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.4 m -142.77 143.99 32.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.642 0.258 . . . . 15.74 110.368 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.59 -37.76 3.17 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.771 -0.728 . . . . 16.77 111.612 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 87.51 -128.12 8.83 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.978 -0.63 . . . . 17.08 111.839 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -81.0 -28.31 35.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.361 0.601 . . . . 17.9 109.714 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.33 95.89 5.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.296 -0.865 . . . . 16.88 109.908 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.518 ' HD2' ' HB2' ' A' ' 221' ' ' GLN . 44.4 mtm180 -108.2 -9.73 15.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.021 -0.536 . . . . 15.45 110.68 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -82.72 83.42 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.317 -0.994 . . . . 17.68 108.317 169.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.563 ' NZ ' ' HA ' ' A' ' 216' ' ' ASP . 0.0 OUTLIER -118.1 155.26 30.7 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.042 -0.526 . . . . 14.48 111.773 -169.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.411 HG23 HG11 ' A' ' 119' ' ' VAL . 79.3 mt -127.78 103.0 9.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.183 -0.673 . . . . 11.8 109.183 170.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -68.35 135.96 91.08 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.745 -0.661 . . . . 11.37 109.778 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.78 -27.77 54.21 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.695 2.263 . . . . 10.68 112.235 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.75 ' HG2' ' HG3' ' A' ' 122' ' ' MET . 36.0 ttpt -89.35 -4.19 58.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 10.74 111.358 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.594 ' O ' HG12 ' A' ' 123' ' ' ILE . 5.7 p -58.94 -38.04 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 121.227 0.537 . . . . 8.53 110.252 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.2 mmt -67.95 -44.07 77.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.497 -0.774 . . . . 8.74 110.558 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -71.24 -37.9 71.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.222 -0.899 . . . . 7.33 110.806 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.75 ' HG3' ' HG2' ' A' ' 118' ' ' LYS . 66.0 mtm -63.4 -45.1 92.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.359 -0.382 . . . . 7.24 110.612 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.926 HD11 ' HD3' ' A' ' 211' ' ' LYS . 20.5 mm -71.29 -31.22 43.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 C-N-CA 120.692 -0.403 . . . . 5.24 110.446 176.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.96 -31.58 63.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.075 0.464 . . . . 4.69 110.208 176.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 42.8 t -64.48 -48.4 75.36 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.608 -0.724 . . . . 4.02 110.905 176.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.569 ' CG2' HD23 ' A' ' 204' ' ' LEU . 28.6 m -71.42 -33.81 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.638 -0.425 . . . . 3.81 110.571 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.639 ' O ' ' HG3' ' A' ' 131' ' ' MET . 51.6 mt-10 -62.73 -41.73 99.32 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.28 -0.418 . . . . 4.32 111.885 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 125' ' ' SER . 15.3 ptmm? -69.79 -35.23 74.68 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.441 -0.504 . . . . 4.42 110.769 -177.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.684 ' HE2' HD21 ' A' ' 90' ' ' LEU . 10.5 mtmp? -72.74 -41.91 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 4.65 111.728 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 127' ' ' GLU . 0.5 OUTLIER -63.34 -25.88 68.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.527 -0.306 . . . . 3.16 111.343 -177.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.639 ' HG3' ' O ' ' A' ' 127' ' ' GLU . 66.1 mtt -52.91 -46.12 67.89 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.923 -0.581 . . . . 3.28 111.442 -174.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -72.95 -50.87 20.88 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.93 -0.308 . . . . 1.58 110.52 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 133' ' ' LEU . 4.1 mm? -59.75 -47.47 85.56 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.308 0.485 . . . . 1.83 112.308 -174.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -62.93 -50.28 71.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 3.67 110.418 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -54.69 -46.6 74.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.452 -0.794 . . . . 1.73 111.389 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.403 ' CE ' ' HA ' ' A' ' 79' ' ' VAL . 33.5 mtp -66.13 -45.07 82.35 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.773 0.286 . . . . 1.05 111.773 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.516 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 11.8 mmt -61.59 -48.08 82.57 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.119 0.485 . . . . 1.44 110.336 175.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.0 -43.92 91.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.686 -0.688 . . . . 3.44 110.862 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 90.7 m -58.77 -48.59 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 1.16 111.868 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.616 ' HA ' ' HB2' ' A' ' 143' ' ' ASP . 16.7 m -70.46 -32.02 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 120.68 -0.408 . . . . 1.15 111.656 -178.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 137' ' ' MET . 69.8 mt -65.98 -47.77 73.45 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.325 -0.55 . . . . 1.45 110.308 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 146' ' ' LYS . 75.4 mmtt -62.85 -29.02 70.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.32 0.581 . . . . 3.01 109.983 175.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 140' ' ' VAL . 0.2 OUTLIER -61.28 -47.43 86.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.217 -0.901 . . . . 1.64 110.052 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.07 -41.63 83.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.659 -0.7 . . . . 1.8 110.441 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -60.31 -40.03 89.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.968 -0.56 . . . . 0.84 110.768 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.41 ' HB2' HG12 ' A' ' 41' ' ' ILE . 61.8 mttp -70.74 -37.39 73.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 2.66 110.67 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.545 ' O ' HG13 ' A' ' 151' ' ' ILE . 80.2 mt -58.28 -52.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.239 -0.437 . . . . 0.59 110.262 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.2 -37.69 78.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.179 -0.464 . . . . 2.39 110.787 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.75 -47.16 87.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 2.47 110.519 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 18.6 m -68.92 -36.28 77.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.71 110.872 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 147' ' ' ILE . 79.3 mt -58.48 -51.08 75.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-O 120.67 0.271 . . . . 1.05 110.437 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.14 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.49 110.787 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.751 ' O ' ' HG2' ' A' ' 156' ' ' GLU . 99.1 m -65.54 -42.1 92.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.934 -0.576 . . . . 0.54 111.174 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.494 HD21 ' HB1' ' A' ' 61' ' ' ALA . 17.7 tp -72.8 -28.14 62.4 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 121.798 -0.564 . . . . 1.37 109.988 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 158' ' ' LYS . 13.1 t70 -67.6 -35.27 78.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.62 -0.718 . . . . 0.78 110.472 177.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.751 ' HG2' ' O ' ' A' ' 153' ' ' THR . 10.4 pt-20 -75.09 -25.9 58.89 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.768 0.318 . . . . 2.52 110.249 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.448 ' HD2' ' O ' ' A' ' 153' ' ' THR . 12.3 m-85 -66.65 -44.71 81.19 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.335 -0.617 . . . . 0.92 109.335 169.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.497 ' HD3' ' HD2' ' A' ' 171' ' ' PHE . 24.6 ttpp -56.83 -37.41 71.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.014 -0.994 . . . . 1.93 110.22 176.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -60.56 -46.27 90.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 3.78 110.983 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -57.6 -50.11 74.2 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.278 -0.419 . . . . 2.94 111.022 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -77.01 97.71 4.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.995 0.426 . . . . 1.97 110.715 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 20.3 m -95.66 164.98 12.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.292 -0.413 . . . . 3.67 111.046 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 69.95 -155.37 53.19 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.923 -0.581 . . . . 3.19 112.374 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -101.75 33.27 6.63 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.987 -0.625 . . . . 2.95 111.541 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.1 p -76.49 -25.6 54.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.789 0.328 . . . . 3.61 111.123 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -143.79 -172.47 3.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.099 -0.5 . . . . 3.62 110.099 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.81 41.28 2.35 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.086 -0.578 . . . . 1.32 112.273 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 27.1 m -57.01 -51.55 68.79 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.395 0.678 . . . . 1.5 111.994 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -73.15 -33.89 65.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.827 0.346 . . . . 3.65 110.494 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . 0.507 ' HE1' ' HA ' ' A' ' 59' ' ' GLN . 13.7 tmm? -65.63 -41.37 92.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 1.37 110.502 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.5 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 40.9 t80 -67.91 -35.48 78.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.9 110.584 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 176' ' ' GLU . 30.1 tt0 -66.39 -43.71 85.1 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.707 -0.479 . . . . 2.38 109.707 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 177' ' ' LYS . 56.1 m-20 -56.82 -42.91 80.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.758 -0.655 . . . . 2.29 109.865 173.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -62.91 -45.28 93.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.553 -0.749 . . . . 3.45 111.388 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -55.4 -47.0 76.55 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.112 0.257 . . . . 1.22 110.993 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 172' ' ' GLU . 28.5 mt-10 -52.9 -50.63 63.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.496 0.665 . . . . 1.35 110.387 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 173' ' ' ASP . 40.4 mmtm -67.95 -36.36 79.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.912 -1.04 . . . . 2.03 110.986 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -64.82 -51.31 62.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.366 -0.379 . . . . 0.91 110.763 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.81 -31.07 72.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 1.63 110.801 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 184' ' ' LYS . 88.1 tttt -70.48 -51.18 30.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.513 . . . . 3.14 110.37 178.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 25.6 m -63.6 -34.47 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.101 0.477 . . . . 1.29 110.434 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' MET . . . . . . . . . . . . . 24.4 ttt -65.62 -34.29 77.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.66 110.239 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . 0.528 ' O ' ' HB3' ' A' ' 186' ' ' ASP . . . -75.44 -30.0 59.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 0.71 110.532 177.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 180' ' ' LYS . 74.6 mmtt -69.18 -46.64 66.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 2.83 110.282 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.717 ' HB3' HG21 ' A' ' 73' ' ' THR . 74.9 mmtt -77.8 -11.0 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.137 -0.483 . . . . 2.06 110.727 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' ASP . . . . . 0.528 ' HB3' ' O ' ' A' ' 183' ' ' ALA . 9.0 t70 -58.78 -34.15 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 1.16 111.573 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 184' ' ' LYS . 4.6 pp -62.93 -23.93 67.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.536 -0.302 . . . . 2.35 110.746 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 192' ' ' ILE . 26.1 mtpp -73.58 -38.04 65.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.439 -0.346 . . . . 2.76 110.67 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.824 ' HA ' HG11 ' A' ' 76' ' ' VAL . 59.6 tp -64.37 -44.44 91.36 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.162 0.506 . . . . 1.24 110.024 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.08 -28.52 62.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.24 110.781 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . 0.475 ' O ' HD13 ' A' ' 195' ' ' LEU . 41.5 tt0 -65.9 -47.86 73.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.541 -0.299 . . . . 2.86 110.227 174.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' ILE . . . . . 0.912 HG13 HG12 ' A' ' 76' ' ' VAL . 31.0 mm -59.49 -38.21 74.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 1.24 111.128 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 196' ' ' LEU . 27.5 p -75.73 -31.05 59.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 1.75 110.754 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 197' ' ' ARG . 38.8 tt0 -63.89 -35.93 82.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.413 0.625 . . . . 3.84 109.885 171.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 191' ' ' GLU . 7.7 mp -72.93 -32.87 65.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 3.54 110.087 174.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.953 ' HA ' ' HB2' ' A' ' 199' ' ' GLU . 31.4 tp -56.9 -25.52 57.24 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.517 0.727 . . . . 3.31 110.704 174.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' ARG . . . . . 0.429 ' HB3' ' O ' ' A' ' 194' ' ' GLU . 52.6 ttp180 -51.92 -32.81 34.47 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.536 -0.302 . . . . 6.05 111.166 171.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' ASP . . . . . 0.542 ' C ' ' H ' ' A' ' 200' ' ' ILE . 23.6 t70 -105.32 -31.98 8.81 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.727 0.775 . . . . 4.3 109.675 175.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.953 ' HB2' ' HA ' ' A' ' 196' ' ' LEU . 59.9 mt-10 -72.6 26.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 125.107 1.363 . . . . 5.29 111.097 170.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.542 ' H ' ' C ' ' A' ' 198' ' ' ASP . 0.1 OUTLIER -34.4 -20.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 128.053 2.541 . . . . 3.27 117.557 -166.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.504 ' HB2' ' HD3' ' A' ' 202' ' ' PRO . 7.4 mm-40 -31.96 -49.76 0.5 Allowed Pre-proline 0 N--CA 1.488 1.441 0 N-CA-C 115.743 1.757 . . . . 6.5 115.743 -160.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 201' ' ' GLU . 77.6 Cg_exo -52.82 -14.45 3.47 Favored 'Trans proline' 0 C--N 1.363 1.297 0 C-N-CA 122.741 2.294 . . . . 6.81 114.261 174.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . 0.554 ' HG3' ' HG3' ' A' ' 206' ' ' LYS . 40.8 ttmt -64.67 -2.6 2.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.965 0.506 . . . . 6.75 111.086 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.569 HD23 ' CG2' ' A' ' 126' ' ' VAL . 1.9 tm? -58.67 -34.49 71.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.827 -0.435 . . . . 6.12 109.827 172.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -53.92 -40.04 66.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.505 0.669 . . . . 9.31 109.689 174.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.554 ' HG3' ' HG3' ' A' ' 203' ' ' LYS . 0.0 OUTLIER -73.58 -55.66 6.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.233 -0.894 . . . . 10.45 110.212 175.312 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 126' ' ' VAL . 22.2 tp -56.72 -37.28 70.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.697 -1.138 . . . . 7.6 112.577 -172.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 208' ' ' ARG . 42.2 ttm180 -56.23 -51.8 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 9.48 110.184 178.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -71.29 -46.09 61.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.118 0.485 . . . . 12.83 110.849 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 214' ' ' PHE . 35.1 tt0 -61.51 -55.38 31.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.248 -0.887 . . . . 10.85 112.347 -172.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' LYS . . . . . 0.926 ' HD3' HD11 ' A' ' 123' ' ' ILE . 49.0 tttp -70.5 -45.19 66.11 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.306 -0.557 . . . . 10.09 110.933 -175.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 212' ' ' ARG . 17.1 mtp180 -61.57 -62.06 2.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.603 -0.271 . . . . 12.5 111.145 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.615 ' HA ' ' CD2' ' A' ' 217' ' ' PHE . . . -74.32 -59.36 2.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.147 0.425 . . . . 13.01 112.147 -173.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.441 ' HB3' ' O ' ' A' ' 210' ' ' GLU . 55.0 t80 -68.04 -51.86 42.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.464 -0.335 . . . . 13.47 111.664 -172.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 211' ' ' LYS . 97.0 mt -79.64 -60.94 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.731 0.641 . . . . 11.97 112.731 -174.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' ASP . . . . . 0.563 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 15.6 m-20 -79.73 -53.6 6.65 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.85 1.056 . . . . 12.73 113.85 -171.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 213' ' ' ALA . 22.2 m-30 -60.65 -54.72 41.89 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.918 0.39 . . . . 13.81 110.959 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -75.67 170.9 15.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.84 -0.618 . . . . 15.46 110.508 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . 0.496 ' HG3' ' HB2' ' A' ' 112' ' ' ARG . 27.0 tt0 -92.54 -106.67 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.876 -0.33 . . . . 15.41 110.274 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' THR . . . . . . . . . . . . . 75.4 p 46.65 42.76 11.88 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.227 0.537 . . . . 17.57 111.794 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . 0.518 ' HB2' ' HD2' ' A' ' 112' ' ' ARG . 82.8 mm-40 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.327 -0.844 . . . . 17.45 110.563 -177.989 . . . . . . . . 1 1 . 1 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