data_2ju8_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2ju8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.5 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 42.0 t . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 121.01 0.434 . . . . 99.99 111.353 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.58 156.43 13.27 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.777 -0.647 . . . . 99.99 112.224 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -97.02 130.6 44.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 99.99 110.922 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -134.83 145.38 48.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 99.99 110.919 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -120.99 128.3 52.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.155 -179.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 m -69.96 142.93 15.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.921 -0.4 . . . . 99.99 109.921 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -129.2 -15.52 4.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.136 0.421 . . . . 99.99 112.136 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -165.73 151.73 9.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.234 0.54 . . . . 99.99 112.209 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -145.35 144.64 30.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.257 -0.883 . . . . 99.99 110.071 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -106.13 139.2 41.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.625 0.25 . . . . 99.99 110.76 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.465 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 69.62 136.33 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.759 -179.493 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -145.92 -65.7 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 99.99 111.489 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 19' ' ' MET . 15.2 mm-40 -51.63 -50.13 78.96 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.631 0.604 . . . . 99.99 112.631 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 36.9 Cg_endo -67.29 -40.65 10.64 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 121.426 1.417 . . . . 99.99 112.075 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.465 ' HB2' ' OD1' ' A' ' 14' ' ' ASN . 65.3 t80 -60.1 -52.17 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 99.99 111.465 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.531 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.67 -43.65 92.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 99.99 111.773 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -58.49 -42.27 87.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.473 -0.33 . . . . 99.99 111.425 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.17 -22.26 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.375 . . . . 99.99 111.323 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.8 tpt -95.21 -73.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.034 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.98 18.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.893 -0.67 . . . . 99.99 112.24 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 19.0 tp -91.02 130.66 39.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.418 0.151 . . . . 99.99 110.66 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -72.26 132.42 19.37 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.587 2.191 . . . . 99.99 112.385 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 10.5 pt-20 -50.98 -26.74 6.4 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.968 -0.56 . . . . 99.99 111.914 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.99 -45.58 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.764 0.316 . . . . 99.99 111.041 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.95 -39.24 79.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 99.99 112.051 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 26' ' ' GLU . 2.7 mp -61.68 -46.34 96.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 111.761 0.282 . . . . 99.99 111.761 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 30.1 mm-40 -54.82 -43.58 73.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.845 0.355 . . . . 99.99 111.144 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -70.02 -32.1 70.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.359 . . . . 99.99 111.703 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.76 -31.6 32.32 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.796 -0.716 . . . . 99.99 114.085 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.653 ' HZ1' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -66.46 -29.74 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.168 0.484 . . . . 99.99 111.127 -179.22 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -83.22 -7.39 59.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.36 . . . . 99.99 110.755 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.5 mt -114.3 121.07 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.158 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -73.3 102.29 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 99.99 110.641 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.24 171.38 5.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.944 -0.646 . . . . 99.99 112.665 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 ' HA ' ' NE2' ' A' ' 8' ' ' GLN . 3.3 t -122.06 145.76 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.386 . . . . 99.99 111.254 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -134.33 129.56 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.975 -0.557 . . . . 99.99 110.654 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -131.03 124.78 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 99.99 110.574 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.8 mt -108.7 119.15 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 99.99 111.455 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 48.8 t -108.03 114.75 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.769 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.5 ' H ' ' HB2' ' A' ' 4' ' ' SER . 25.7 t-80 -103.19 116.1 31.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.483 -0.326 . . . . 99.99 110.805 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -138.19 101.44 4.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.315 -0.402 . . . . 99.99 111.465 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 46.17 69.22 0.86 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.101 -0.499 . . . . 99.99 113.663 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 68.44 -20.68 0.14 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.214 0.45 . . . . 99.99 112.214 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' A' ' 45' ' ' GLY . 50.5 mtmt -90.92 108.43 19.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 99.99 110.536 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.4 t -109.36 128.4 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.445 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -106.76 134.32 50.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.683 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' HB2' ' HE2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -106.1 125.15 50.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.588 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 71.7 m -120.69 127.43 52.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 99.99 111.266 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.2 mm -129.54 125.67 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 99.99 110.42 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.7 m -110.52 130.53 55.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.935 0.398 . . . . 99.99 111.881 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -121.5 109.2 14.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.908 -0.587 . . . . 99.99 110.606 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.25 -83.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 99.99 112.709 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.2 p -138.55 15.36 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.697 0.284 . . . . 99.99 111.141 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -111.8 135.5 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 99.99 110.941 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.2 t -109.55 126.68 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 99.99 110.592 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 51' ' ' THR . 50.5 mm -112.65 116.51 52.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 99.99 110.894 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -114.17 136.8 52.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 99.99 111.2 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -139.33 160.4 39.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.108 -0.496 . . . . 99.99 110.834 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -138.01 135.56 36.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.845 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.469 ' HE2' ' HB2' ' A' ' 50' ' ' LEU . 29.7 p90 -148.82 151.83 35.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.295 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 67' ' ' GLU . 24.7 m -107.26 127.87 53.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.026 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.48 136.7 58.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.236 -0.438 . . . . 99.99 110.816 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.529 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 62.77 34.86 90.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 99.99 112.31 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 39.0 tt0 -155.97 128.25 7.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 99.99 111.198 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 42.0 tt0 -74.44 119.19 18.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.776 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.2 t -119.12 157.56 27.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 99.99 110.667 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -95.72 120.27 35.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.071 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.2 tp -119.27 144.42 46.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 99.99 110.72 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -88.06 146.85 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.731 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -92.03 177.56 6.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.446 . . . . 99.99 110.308 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 49.0 ttp -66.38 -15.4 63.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.683 0.278 . . . . 99.99 111.043 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -93.33 -8.51 41.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.454 -0.339 . . . . 99.99 111.166 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.87 -5.08 63.63 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.698 -0.763 . . . . 99.99 112.894 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.48 140.31 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 99.99 111.104 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -91.45 119.29 31.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 99.99 110.805 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.11 148.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 99.99 111.088 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -95.9 133.66 39.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.305 -0.407 . . . . 99.99 110.827 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.75 142.48 27.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.539 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.523 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 4.5 p -114.49 118.81 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.951 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -109.1 122.52 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 99.99 111.056 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.529 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 39.7 mtmt -133.2 151.33 51.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 99.99 110.799 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.1 ptm -98.3 144.25 27.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 99.99 110.438 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -98.33 -12.23 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 99.99 110.83 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.39 -120.16 2.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 99.99 113.027 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -91.68 129.45 37.65 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.071 0.462 . . . . 99.99 110.981 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.603 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 1.8 p-10 51.39 12.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.151 -0.931 . . . . 99.99 112.868 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -137.8 125.6 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 99.99 112.092 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.4 mtt -141.39 133.59 27.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.532 -0.758 . . . . 99.99 110.004 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.5 t -112.17 118.15 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.988 0.423 . . . . 99.99 111.765 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.0 t -134.35 122.98 23.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 99.99 110.366 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.6 m -126.42 140.21 52.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 99.99 111.521 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -138.66 130.37 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 99.99 110.99 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp 60.16 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.083 -0.508 . . . . 99.99 111.525 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.14 15.58 0.88 Allowed Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.699 -0.762 . . . . 99.99 112.564 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 45.0 mm -104.45 138.04 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 99.99 110.881 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.65 118.25 32.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 99.99 110.425 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 112' ' ' THR . 57.9 m -122.14 120.98 35.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.282 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.0 t -124.03 121.95 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 99.99 110.64 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 84.7 m -114.88 128.4 56.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.983 -0.553 . . . . 99.99 111.605 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 39.6 mt-10 -96.46 123.45 40.12 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.848 -0.427 . . . . 99.99 109.848 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.603 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -101.65 117.53 35.08 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.715 0.635 . . . . 99.99 112.715 -178.154 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -124.47 153.17 42.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.523 -0.762 . . . . 99.99 110.413 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.25 39.69 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 99.99 112.772 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -172.74 -29.75 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.67 0.235 . . . . 99.99 111.536 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.4 p -140.9 146.31 37.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.767 0.318 . . . . 99.99 111.583 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.9 mm -125.38 120.49 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.088 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.9 m -115.91 138.11 51.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.225 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.49 ' ND2' ' HG3' ' A' ' 113' ' ' MET . 9.2 t30 -121.93 138.67 54.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 99.99 110.586 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 100' ' ' SER . 2.9 m -120.1 120.53 36.51 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.93 0.345 . . . . 99.99 111.93 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.512 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 66.7 mtt -124.57 120.85 33.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 99.99 110.036 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.8 m -121.32 121.05 36.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.056 0.455 . . . . 99.99 111.644 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.2 115.88 7.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.744 -0.662 . . . . 99.99 110.462 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.26 47.57 83.45 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.608 -0.806 . . . . 99.99 112.744 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.8 t70 67.13 3.11 3.03 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.776 0.287 . . . . 99.99 111.776 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 29.1 mt -87.77 136.72 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 99.99 111.172 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.8 t -111.72 117.89 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.131 0.491 . . . . 99.99 111.848 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.512 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 21.7 t80 -116.79 118.05 31.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.573 -0.74 . . . . 99.99 109.241 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -129.26 124.34 34.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.691 0.281 . . . . 99.99 111.679 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -102.4 123.95 47.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.014 0.435 . . . . 99.99 111.067 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.46 120.6 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.717 -0.674 . . . . 99.99 110.376 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 17.3 m -129.71 144.97 51.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.965 0.412 . . . . 99.99 111.574 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -109.06 149.5 29.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.747 -0.66 . . . . 99.99 110.787 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -70.67 138.76 50.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 99.99 111.219 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 pt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 99.99 111.147 179.873 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.771 0.319 . . . . 99.99 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.32 168.04 28.9 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.789 -0.719 . . . . 99.99 112.589 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -110.83 128.68 55.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.35 . . . . 99.99 110.92 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -120.85 141.14 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.434 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 124' ' ' SER . 8.4 tp-100 -116.39 127.1 54.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.204 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.72 140.18 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 99.99 110.73 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -129.4 -17.97 3.67 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.452 -0.34 . . . . 99.99 111.819 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 t -167.67 161.4 13.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.988 0.423 . . . . 99.99 111.604 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.552 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 16.1 tm0? -146.01 154.62 42.08 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.879 -0.6 . . . . 99.99 110.703 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -109.01 129.74 55.46 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.643 0.258 . . . . 99.99 111.198 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.7 m120 66.05 117.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.321 -0.399 . . . . 99.99 111.162 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -121.75 -64.83 1.18 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.979 0.419 . . . . 99.99 111.436 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 34.7 mt-10 -55.27 -46.27 99.72 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 112.779 0.659 . . . . 99.99 112.779 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 61.6 Cg_exo -52.49 -41.26 68.82 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 121.646 1.564 . . . . 99.99 113.14 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.28 -52.23 66.45 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.556 0.576 . . . . 99.99 112.556 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.67 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 1.9 ppp? -59.82 -36.24 76.38 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.815 0.302 . . . . 99.99 111.815 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 63.8 mttm -61.17 -45.93 92.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.292 0.478 . . . . 99.99 112.292 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.77 -76.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.37 0.507 . . . . 99.99 112.37 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.3 tpp -44.79 -23.39 0.13 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.31 -0.859 . . . . 99.99 112.405 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.89 10.32 58.89 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.437 -0.887 . . . . 99.99 111.17 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.67 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 21.0 tp -74.51 147.1 84.56 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 91.5 Cg_endo -78.03 128.51 9.16 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.201 1.934 . . . . 99.99 112.097 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 39.9 tt0 -52.59 -25.99 12.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.361 -0.381 . . . . 99.99 110.984 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.07 -46.71 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.52 -0.309 . . . . 99.99 110.917 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.54 -41.03 89.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 99.99 111.229 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 19' ' ' MET . 7.7 mt -63.73 -46.29 94.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 99.99 110.996 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -63.72 -38.61 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 99.99 110.988 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -67.86 -31.68 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.728 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.16 -49.52 15.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.859 -0.686 . . . . 99.99 112.704 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -60.29 -29.18 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 99.99 111.072 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -68.84 -47.82 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 99.99 110.947 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.58 120.12 37.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.205 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -59.26 121.44 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.38 -0.373 . . . . 99.99 110.318 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.58 159.06 52.91 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.852 -0.689 . . . . 99.99 112.865 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 52' ' ' ILE . 21.2 t -122.81 136.52 59.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 99.99 110.485 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.1 p -135.3 130.91 35.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.956 0.408 . . . . 99.99 111.442 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -134.75 126.31 28.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 99.99 110.421 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.9 mt -113.09 125.21 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 99.99 111.817 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -106.51 114.73 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.724 -0.671 . . . . 99.99 109.445 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -101.44 116.76 33.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.091 0.472 . . . . 99.99 111.842 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.6 101.72 4.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.766 -0.652 . . . . 99.99 110.065 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.41 -102.24 0.25 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.725 -0.75 . . . . 99.99 112.076 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -118.01 -9.07 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 99.99 110.431 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -95.59 111.12 23.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.965 -0.561 . . . . 99.99 110.723 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -115.28 133.58 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.107 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HD3' ' HE2' ' A' ' 60' ' ' HIS . 64.2 mttp -112.13 133.22 54.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 99.99 110.936 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tt -115.69 126.68 54.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 99.99 110.54 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -118.95 127.44 53.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 99.99 111.549 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 45.1 mm -126.45 133.13 69.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.508 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.4 m -118.02 130.72 56.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 99.99 111.563 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -121.22 108.48 13.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.913 -0.585 . . . . 99.99 110.543 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.53 -84.22 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 99.99 112.614 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.6 p -139.99 14.97 2.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.758 0.313 . . . . 99.99 111.118 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' HZ1' ' HB2' ' A' ' 57' ' ' LYS . 3.5 ttmp? -109.77 130.45 55.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.434 -0.348 . . . . 99.99 110.939 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 p -98.89 131.58 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 99.99 110.786 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.4 mt -120.7 115.97 48.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 99.99 110.578 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.515 ' HE2' ' HD3' ' A' ' 49' ' ' LYS . 55.5 t-80 -113.18 128.5 56.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.22 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -135.38 161.27 35.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.149 -0.478 . . . . 99.99 110.998 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.63 139.88 28.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 99.99 110.369 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -148.28 151.76 35.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.01 0.433 . . . . 99.99 111.409 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.4 m -102.76 130.64 49.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.907 -0.588 . . . . 99.99 110.989 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.427 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 38.7 mt -70.06 136.91 50.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 99.99 111.212 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.67 15.1 79.43 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.981 -0.628 . . . . 99.99 113.15 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -146.71 145.71 30.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.983 0.42 . . . . 99.99 111.381 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -76.62 119.99 21.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.865 -0.607 . . . . 99.99 110.387 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.4 m -118.64 151.04 38.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 99.99 111.044 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -98.77 119.84 38.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 99.99 110.921 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 tp -119.95 146.49 45.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 99.99 110.798 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -85.16 125.15 32.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.493 . . . . 99.99 110.99 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.5 p -75.03 170.61 15.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 99.99 111.207 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -13.11 61.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 99.99 110.84 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.2 p -92.82 -21.31 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.088 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.3 6.83 35.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.873 -0.68 . . . . 99.99 112.219 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -90.28 141.31 28.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 99.99 110.736 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -86.82 121.25 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.844 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.6 m -125.51 150.22 30.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.182 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -113.53 132.68 55.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 99.99 110.45 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.17 143.24 29.15 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.052 0.39 . . . . 99.99 112.052 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.42 117.99 44.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.897 -0.592 . . . . 99.99 110.883 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 3.2 p -109.48 119.5 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 99.99 111.219 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.434 ' NZ ' ' HB3' ' A' ' 84' ' ' LYS . 9.8 mtpm? -118.04 151.5 37.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.23 -0.441 . . . . 99.99 110.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 17.9 ptt? -115.48 139.28 50.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.33 -0.396 . . . . 99.99 110.992 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -105.73 -15.69 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.524 . . . . 99.99 110.183 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.73 18.46 56.61 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.51 -0.768 . . . . 99.99 112.823 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -150.28 75.24 1.23 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.277 . . . . 99.99 111.603 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.577 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 2.3 m-80 53.73 15.51 0.81 Allowed 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.673 0.62 . . . . 99.99 112.673 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -134.95 130.57 36.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.431 0.634 . . . . 99.99 112.545 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.589 ' HB2' ' HB ' ' A' ' 102' ' ' THR . 96.8 mmm -141.45 124.09 15.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.984 -1.007 . . . . 99.99 109.435 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.0 118.81 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.049 0.452 . . . . 99.99 112.182 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 t -134.19 119.6 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 99.99 110.349 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 83.2 m -119.48 128.34 53.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.558 -0.292 . . . . 99.99 111.432 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -135.82 131.31 35.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.973 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 59.41 -85.71 0.02 OUTLIER 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.965 -0.561 . . . . 99.99 111.35 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.67 1.38 0.34 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.853 -0.689 . . . . 99.99 112.387 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.19 136.86 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.642 0.258 . . . . 99.99 110.824 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -97.4 120.4 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 99.99 110.806 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 112' ' ' THR . 70.7 m -121.94 121.25 36.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.139 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 t -120.11 122.6 68.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.09 -0.504 . . . . 99.99 110.486 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 91' ' ' MET . 86.5 m -114.34 128.79 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.422 -0.354 . . . . 99.99 111.812 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 32.6 tt0 -96.5 120.32 36.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.417 -0.586 . . . . 99.99 109.417 178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.577 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -94.92 116.47 28.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.338 0.589 . . . . 99.99 112.533 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 108' ' ' THR . 6.9 m120 -125.43 153.07 44.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.507 -0.769 . . . . 99.99 110.328 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.35 23.47 6.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.46 -0.876 . . . . 99.99 112.045 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -146.27 -45.07 0.19 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.614 0.245 . . . . 99.99 111.416 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 26.7 m -140.53 126.62 19.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.821 0.343 . . . . 99.99 111.496 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.25 120.83 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 99.99 110.628 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.9 m -115.91 139.81 49.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.058 -0.519 . . . . 99.99 111.649 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.639 ' HB3' ' HG2' ' A' ' 122' ' ' ARG . 2.7 t-20 -124.06 141.94 51.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.692 0.282 . . . . 99.99 110.791 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 100' ' ' SER . 5.5 m -117.64 123.28 45.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.322 -0.399 . . . . 99.99 111.724 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.455 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 88.8 mtp -124.71 120.74 32.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.099 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 37.4 m -113.55 121.51 44.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.379 . . . . 99.99 111.832 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -144.71 115.86 7.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 99.99 110.135 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.65 43.76 95.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.518 -0.849 . . . . 99.99 112.29 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 67.44 3.24 3.23 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.387 0.275 . . . . 99.99 111.644 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.2 mt -88.78 137.82 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 99.99 111.308 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.1 t -107.53 116.64 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.176 0.513 . . . . 99.99 111.307 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.455 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 36.0 t80 -113.39 118.61 35.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.844 -0.798 . . . . 99.99 108.844 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.552 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 23.7 ttmm -128.08 129.48 46.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.549 -0.296 . . . . 99.99 111.547 -178.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.639 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 12.0 ptp180 -107.34 133.77 51.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.917 0.389 . . . . 99.99 110.962 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.67 119.84 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 99.99 110.7 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 80.4 p -131.57 141.38 49.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.438 -0.347 . . . . 99.99 111.247 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' A' ' 125' ' ' LYS . 13.0 ptmm? -105.77 148.77 27.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.723 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -84.75 126.43 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.174 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.4 pt . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.013 -0.54 . . . . 99.99 111.085 179.799 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' A' ' 43' ' ' HIS . 38.7 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.931 0.396 . . . . 99.99 110.424 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.52 177.32 40.84 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.689 -0.767 . . . . 99.99 112.652 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -108.55 129.86 55.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.958 0.409 . . . . 99.99 111.496 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -118.01 150.02 39.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.836 -0.62 . . . . 99.99 110.125 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.5 128.12 54.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.012 0.375 . . . . 99.99 112.012 -178.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.73 117.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.918 -0.583 . . . . 99.99 110.163 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -93.05 -34.96 13.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.1 0.408 . . . . 99.99 112.1 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.1 p -165.56 168.53 16.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 99.99 111.56 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.515 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 17.7 tm0? -143.51 140.74 30.44 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.873 -0.603 . . . . 99.99 110.573 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.94 131.66 40.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.518 -0.31 . . . . 99.99 111.441 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 63.5 98.09 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.897 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.46 -55.6 2.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.139 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.539 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 44.1 mt-10 -50.85 -50.0 76.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.299 0.481 . . . . 99.99 112.299 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 27.3 Cg_endo -62.8 -40.3 36.9 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 121.918 1.745 . . . . 99.99 112.995 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -67.7 -52.1 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.997 0.427 . . . . 99.99 111.56 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.596 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.72 -43.97 97.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.901 -0.59 . . . . 99.99 112.299 -178.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' N ' ' SD ' ' A' ' 19' ' ' MET . 13.5 tttm -70.55 -38.41 74.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.271 -0.422 . . . . 99.99 111.742 -178.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -9.21 19.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 99.99 110.836 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.5 tpt -104.39 -67.7 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 99.99 110.812 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.75 6.66 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.948 -0.644 . . . . 99.99 112.25 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 18.6 tp -83.41 129.22 61.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 110.575 -0.157 . . . . 99.99 110.575 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.11 129.29 12.11 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.429 2.086 . . . . 99.99 112.163 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -48.88 -25.74 2.07 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.127 -0.488 . . . . 99.99 112.018 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.61 -47.56 83.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.8 0.334 . . . . 99.99 110.741 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.48 -37.88 77.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.647 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -62.28 -43.21 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.616 -0.266 . . . . 99.99 111.275 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -60.64 -46.6 89.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 99.99 111.412 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.81 -31.39 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 99.99 111.471 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.48 -34.97 30.51 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.841 -0.695 . . . . 99.99 113.431 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.94 -25.09 61.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.908 0.354 . . . . 99.99 111.057 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.67 -29.99 71.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 99.99 110.806 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.3 mt -102.45 122.67 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.961 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -59.34 122.26 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 99.99 110.871 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.59 159.33 34.7 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.821 -0.704 . . . . 99.99 112.519 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 52' ' ' ILE . 21.9 t -122.34 133.72 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.715 0.293 . . . . 99.99 110.765 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 m -135.19 135.95 41.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.353 -0.385 . . . . 99.99 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -134.86 129.65 34.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 99.99 110.795 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mm -110.74 118.65 57.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.905 0.383 . . . . 99.99 111.359 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 49' ' ' LYS . 46.9 t -107.85 123.09 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.691 -0.686 . . . . 99.99 110.227 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.456 ' HB3' ' HB2' ' A' ' 4' ' ' SER . 15.2 t-80 -107.56 116.18 31.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 99.99 111.62 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -137.62 102.01 4.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.984 -0.553 . . . . 99.99 110.33 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.58 -105.3 0.79 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.643 -0.789 . . . . 99.99 111.996 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HG3' ' HD3' ' A' ' 47' ' ' LYS . 16.1 ptpt -118.78 -8.15 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 99.99 110.465 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.476 ' N ' ' HD3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -96.56 116.29 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 99.99 110.437 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.1 p -105.39 136.81 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.086 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.666 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 7.6 mtpm? -109.32 123.61 49.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.654 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.9 123.48 50.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 99.99 110.444 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.5 m -125.34 127.13 46.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.317 -0.401 . . . . 99.99 111.241 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 58.3 mt -128.9 123.99 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.848 -0.615 . . . . 99.99 110.154 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.5 m -111.46 129.89 55.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.002 0.429 . . . . 99.99 111.777 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -121.57 109.15 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.721 -0.672 . . . . 99.99 110.772 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.37 -83.86 0.13 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.794 -0.717 . . . . 99.99 112.732 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.4 t -138.96 16.48 2.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.33 . . . . 99.99 111.139 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -115.35 133.0 56.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 99.99 110.907 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.8 t -109.33 126.51 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 99.99 110.636 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.2 mm -113.08 116.51 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.968 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -112.84 131.98 55.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.348 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 71' ' ' LEU . 19.6 m120 -152.46 122.58 7.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 99.99 110.705 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -115.38 143.33 45.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 99.99 110.706 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.1 150.8 35.74 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.085 0.469 . . . . 99.99 111.27 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 46.0 m -97.37 131.09 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 99.99 111.227 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -57.5 140.44 50.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 99.99 110.913 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.487 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 60.32 48.5 85.84 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.849 -0.691 . . . . 99.99 112.678 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -167.21 143.87 4.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.804 0.335 . . . . 99.99 111.096 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.9 119.76 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.925 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.7 m -118.54 157.4 27.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.416 . . . . 99.99 110.729 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -116.64 119.93 37.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 99.99 111.161 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.417 ' HB2' ' ND2' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -120.06 145.76 46.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.037 -0.529 . . . . 99.99 110.859 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.41 127.78 34.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.772 -0.649 . . . . 99.99 110.743 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.0 p -84.88 178.05 7.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.042 -0.526 . . . . 99.99 111.168 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -62.98 -37.21 86.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.51 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.4 p -64.77 -18.27 64.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.025 -0.534 . . . . 99.99 110.974 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.49 -3.96 61.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.958 -0.639 . . . . 99.99 111.94 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.13 143.55 33.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 99.99 110.827 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -92.5 119.39 31.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 99.99 110.964 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.73 139.09 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 99.99 111.457 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -107.87 132.85 53.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.876 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.67 146.98 30.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.395 . . . . 99.99 111.953 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.33 119.71 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.942 -0.572 . . . . 99.99 110.533 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 p -108.97 122.52 63.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.185 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.487 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 42.3 mtpt -134.52 151.21 50.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.461 . . . . 99.99 110.691 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 ptm -101.37 135.79 42.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 99.99 110.742 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -89.89 -15.47 32.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.964 0.412 . . . . 99.99 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.83 -118.74 2.13 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.734 -0.746 . . . . 99.99 113.085 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 8.7 m-20 -103.39 123.2 46.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.032 0.444 . . . . 99.99 111.47 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.491 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 28.7 m-80 73.17 -3.54 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.11 -0.95 . . . . 99.99 112.505 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.74 130.11 45.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.587 . . . . 99.99 112.316 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 23.8 mmt -140.45 136.74 33.32 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.203 -0.908 . . . . 99.99 109.519 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.96 119.71 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.2 0.524 . . . . 99.99 112.278 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.6 t -133.83 132.8 40.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 99.99 110.51 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.5 m -121.49 126.39 49.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.648 0.261 . . . . 99.99 111.472 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -138.64 136.68 36.15 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.051 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 52.82 -94.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.086 -0.506 . . . . 99.99 111.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.61 -6.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.97 -0.634 . . . . 99.99 112.133 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 82.4 mt -89.69 137.77 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 99.99 110.665 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -97.13 127.03 42.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 99.99 110.944 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 112' ' ' THR . 39.6 t -121.7 120.48 34.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 99.99 111.096 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.0 t -116.2 122.97 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 99.99 109.832 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.2 m -113.62 128.14 56.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.963 0.411 . . . . 99.99 112.077 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 35.4 tt0 -96.15 122.95 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.738 -0.838 . . . . 99.99 108.738 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -105.9 117.03 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.168 0.509 . . . . 99.99 112.344 -178.312 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -125.85 153.73 43.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.825 -0.625 . . . . 99.99 110.241 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.39 40.27 1.74 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.614 -0.803 . . . . 99.99 112.877 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.35 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.66 0.266 . . . . 99.99 111.357 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.5 p -141.2 145.73 36.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.817 0.342 . . . . 99.99 111.585 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.1 mt -124.2 123.25 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 99.99 110.74 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 m -112.93 139.0 48.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.072 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -121.49 135.08 55.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.408 . . . . 99.99 110.794 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -119.53 117.5 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 99.99 111.526 -179.579 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.556 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 64.0 mtt -123.64 120.6 33.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 99.99 109.833 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 97.6 m -121.42 121.93 38.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.863 0.363 . . . . 99.99 111.395 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.51 116.38 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 99.99 110.468 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.72 -77.16 0.95 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.632 -0.794 . . . . 99.99 111.734 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -155.85 4.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 99.99 111.09 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.3 mm -89.29 137.47 21.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 111.893 0.331 . . . . 99.99 111.893 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -105.52 120.45 56.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 99.99 111.001 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.556 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 45.5 t80 -114.12 119.34 36.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 99.99 110.755 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.515 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 40.3 ttpt -129.4 123.99 33.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 99.99 110.943 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -108.21 129.42 55.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.392 . . . . 99.99 111.023 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.69 119.81 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 99.99 110.431 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 148.54 52.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 99.99 111.385 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -128.46 146.07 50.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.929 -0.578 . . . . 99.99 110.709 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -72.14 135.26 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 99.99 111.056 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 30.4 pt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.041 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.748 0.308 . . . . 99.99 111.127 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.46 151.7 9.1 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.933 -0.651 . . . . 99.99 112.253 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -94.54 118.86 32.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 99.99 111.077 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -117.14 146.82 42.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.916 -0.584 . . . . 99.99 110.248 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -122.38 128.25 50.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.861 0.363 . . . . 99.99 111.866 -178.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.2 t -70.76 127.87 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.945 -0.57 . . . . 99.99 109.995 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -104.45 -30.38 10.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.132 0.419 . . . . 99.99 112.132 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.1 p -166.38 164.04 17.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.202 0.525 . . . . 99.99 111.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -145.58 147.62 32.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.464 -0.789 . . . . 99.99 110.228 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -97.58 127.39 43.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.555 -0.293 . . . . 99.99 110.747 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 67.81 145.48 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.331 -0.395 . . . . 99.99 111.002 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -146.71 -57.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.056 0.455 . . . . 99.99 111.347 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.477 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 42.3 mt-10 -54.21 -50.09 86.6 Favored Pre-proline 0 CA--C 1.535 0.373 0 N-CA-C 112.767 0.655 . . . . 99.99 112.767 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 51.3 Cg_endo -68.19 -42.5 5.72 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.608 1.539 . . . . 99.99 113.62 -178.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.18 -51.81 61.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.906 0.384 . . . . 99.99 111.173 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.588 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 26.5 mmt -63.72 -43.09 97.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.931 -0.577 . . . . 99.99 111.657 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -59.2 -41.63 88.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.749 0.309 . . . . 99.99 110.687 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.39 -22.23 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 99.99 110.319 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.0 tpt -89.6 -75.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.779 -0.646 . . . . 99.99 110.596 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.02 39.19 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.835 -0.62 . . . . 99.99 112.302 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.588 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 14.2 tp -115.64 134.82 22.61 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.48 0.181 . . . . 99.99 110.87 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.93 135.64 21.57 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.632 2.222 . . . . 99.99 112.906 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 45.1 mt-10 -52.07 -33.45 39.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 99.99 111.816 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.11 -48.58 79.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.663 0.268 . . . . 99.99 111.222 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.62 -37.38 73.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.293 -0.412 . . . . 99.99 111.387 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.9 mt -60.67 -46.78 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 99.99 112.192 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 29.9 mm-40 -60.4 -42.39 95.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.741 0.305 . . . . 99.99 111.178 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -69.28 -32.37 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 99.99 111.21 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.46 -47.22 22.78 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.849 -0.691 . . . . 99.99 112.932 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -61.75 -31.34 71.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.763 0.316 . . . . 99.99 111.102 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.81 -21.01 65.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 99.99 110.669 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -111.87 123.5 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 99.99 111.015 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -59.66 114.62 2.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.644 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.76 156.21 13.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.717 . . . . 99.99 112.731 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.42 ' HA ' ' NE2' ' A' ' 8' ' ' GLN . 20.6 t -122.2 133.05 69.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.699 0.285 . . . . 99.99 110.714 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 m -136.07 134.62 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.935 0.397 . . . . 99.99 111.408 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -134.86 134.85 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.129 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mt -123.16 119.09 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.986 0.422 . . . . 99.99 112.127 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -108.03 114.3 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 99.99 109.562 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -115.98 116.61 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.026 0.441 . . . . 99.99 111.822 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -137.82 102.0 4.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.855 -0.611 . . . . 99.99 110.909 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 64.72 57.59 12.12 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.887 -0.673 . . . . 99.99 113.006 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 mttp 66.78 -8.96 0.37 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.808 0.299 . . . . 99.99 111.808 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 45' ' ' GLY . 79.3 tttt -91.01 108.54 19.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.02 -0.363 . . . . 99.99 110.02 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -107.39 142.31 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.419 0.526 . . . . 99.99 112.419 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -126.76 123.97 38.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.519 -0.764 . . . . 99.99 109.595 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -111.35 130.45 55.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.911 0.386 . . . . 99.99 111.221 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.0 m -122.44 126.78 48.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.982 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.5 mt -127.38 126.51 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.59 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.9 m -117.12 131.03 56.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 99.99 111.796 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -120.86 109.12 14.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.904 -0.589 . . . . 99.99 110.559 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.85 -84.74 0.11 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.699 -0.763 . . . . 99.99 112.65 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -137.19 19.14 2.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.782 0.325 . . . . 99.99 111.107 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -115.23 123.76 49.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 99.99 111.147 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.1 t -99.63 126.79 52.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 99.99 110.733 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.8 mm -116.25 117.78 56.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 99.99 111.049 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -106.37 140.01 39.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.003 -0.544 . . . . 99.99 111.262 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -147.63 156.68 43.04 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.244 -0.435 . . . . 99.99 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -145.61 130.29 18.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.25 -0.432 . . . . 99.99 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.13 152.72 51.96 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.035 0.445 . . . . 99.99 111.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.5 m -111.66 116.07 30.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.831 -0.622 . . . . 99.99 109.441 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 pp -48.26 146.35 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.973 0.416 . . . . 99.99 111.736 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 56.15 26.9 50.84 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.897 -0.592 . . . . 99.99 112.97 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -143.89 148.09 34.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.78 0.324 . . . . 99.99 110.968 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -88.45 124.28 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.84 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.2 p -125.6 157.71 36.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 99.99 111.009 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.59 127.37 41.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 99.99 110.809 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.01 142.99 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.285 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.02 126.33 34.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.575 -0.738 . . . . 99.99 110.726 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.6 p -80.46 175.93 10.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.188 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -69.82 -26.01 64.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 99.99 110.893 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.7 p -83.36 -45.23 13.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 99.99 111.252 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.61 0.58 3.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.866 -0.683 . . . . 99.99 112.19 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -79.89 142.03 35.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 99.99 111.08 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.6 119.52 29.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 99.99 110.778 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.3 m -116.7 150.72 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 99.99 111.273 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -105.55 128.86 53.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 99.99 110.597 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.39 142.35 28.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 99.99 111.934 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.6 120.95 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 99.99 110.784 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.429 ' HA ' ' HB ' ' A' ' 93' ' ' THR . 7.4 p -97.15 122.06 48.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 99.99 110.129 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -128.99 140.23 51.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.808 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.86 140.25 34.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 99.99 110.62 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -90.91 -10.18 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 99.99 110.795 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.96 -109.14 0.72 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.82 -0.705 . . . . 99.99 112.963 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.69 122.69 48.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.955 0.407 . . . . 99.99 111.382 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 59.4 t30 74.15 -5.01 2.15 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.374 -0.83 . . . . 99.99 112.185 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.95 131.4 45.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.232 0.539 . . . . 99.99 112.056 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.2 ttm -141.71 130.44 22.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.395 -0.82 . . . . 99.99 109.83 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.66 118.69 59.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.19 0.519 . . . . 99.99 111.97 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 83' ' ' VAL . 1.2 t -134.39 142.06 47.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.679 -0.691 . . . . 99.99 110.654 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.7 p -126.56 129.46 48.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.681 -0.236 . . . . 99.99 111.471 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -139.21 126.64 21.61 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.821 0.343 . . . . 99.99 111.828 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt 57.94 21.01 7.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.079 -0.509 . . . . 99.99 111.747 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 91.48 -5.36 80.42 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.647 -0.787 . . . . 99.99 112.648 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 mp -89.72 138.28 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.994 -0.373 . . . . 99.99 109.994 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -96.82 122.6 39.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.047 0.451 . . . . 99.99 111.248 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 112' ' ' THR . 4.6 p -121.62 120.12 33.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.52 -0.764 . . . . 99.99 109.879 178.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.8 t -112.78 122.46 66.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.423 . . . . 99.99 110.921 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.0 m -114.5 129.97 56.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.974 -0.557 . . . . 99.99 111.657 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -96.09 127.85 42.46 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.084 -0.507 . . . . 99.99 109.642 178.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.505 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.78 115.74 30.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.223 0.535 . . . . 99.99 112.165 -178.811 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' A' ' 107' ' ' ASP . 12.7 m120 -126.29 154.43 43.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.687 -0.688 . . . . 99.99 109.998 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.96 24.51 0.42 Allowed Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.528 -0.844 . . . . 99.99 112.908 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 105' ' ' ASN . 2.8 p30 -166.72 -21.63 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.951 0.375 . . . . 99.99 111.937 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 12.5 t -141.0 146.1 36.81 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.656 0.613 . . . . 99.99 112.656 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.38 123.39 32.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.642 -0.708 . . . . 99.99 110.5 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.3 m -115.27 139.63 49.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 99.99 111.321 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -115.49 132.85 56.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 99.99 110.958 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.545 ' O ' ' HA ' ' A' ' 100' ' ' SER . 2.9 m -120.04 118.96 32.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.295 -0.411 . . . . 99.99 111.156 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.402 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 67.0 mtt -123.26 121.68 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.753 0.311 . . . . 99.99 110.504 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 35.4 m -114.53 122.87 47.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.916 0.388 . . . . 99.99 111.627 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.75 115.56 17.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.975 -0.557 . . . . 99.99 109.896 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.59 -85.26 0.11 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 99.99 112.155 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -148.72 20.78 1.02 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.359 . . . . 99.99 110.494 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.1 mt -106.48 137.72 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 99.99 111.326 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.8 t -105.45 123.7 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.107 0.48 . . . . 99.99 111.438 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.402 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 29.5 t80 -118.3 118.8 32.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.688 -0.687 . . . . 99.99 109.784 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -128.56 123.46 33.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.808 0.337 . . . . 99.99 111.279 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.48 125.95 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 99.99 111.182 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.99 118.73 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.94 -0.573 . . . . 99.99 110.682 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 90.9 p -134.28 139.88 46.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.884 0.373 . . . . 99.99 111.086 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.38 149.01 42.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 99.99 110.809 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -72.26 120.38 17.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 99.99 110.994 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.031 -0.531 . . . . 99.99 111.126 179.809 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.4 p . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.831 0.348 . . . . 99.99 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.02 156.62 8.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.837 -0.697 . . . . 99.99 112.313 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.646 ' HB3' ' HZ1' ' A' ' 6' ' ' LYS . 6.1 ttpm? -105.77 129.75 53.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 99.99 110.715 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 5.7 m-85 -135.53 125.27 25.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 99.99 110.448 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -102.07 140.47 36.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.136 0.494 . . . . 99.99 110.056 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.414 ' HB ' ' H ' ' A' ' 37' ' ' GLY . 64.6 t -68.32 143.97 14.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.541 -0.299 . . . . 99.99 110.469 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -115.91 -55.15 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.359 . . . . 99.99 111.891 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.6 t -148.95 168.68 22.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.132 0.491 . . . . 99.99 111.619 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -141.26 137.39 32.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.68 -0.691 . . . . 99.99 110.732 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 121' ' ' LYS . 12.0 pt-20 -103.91 140.64 37.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.384 -0.371 . . . . 99.99 110.839 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.34 78.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.5 -0.318 . . . . 99.99 110.651 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.56 -39.01 5.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.275 -0.42 . . . . 99.99 110.83 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' A' ' 19' ' ' MET . 43.2 mt-10 -51.14 -46.85 88.76 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.108 -0.497 . . . . 99.99 111.799 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 57.7 Cg_endo -71.81 -34.09 9.27 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.579 1.519 . . . . 99.99 111.504 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.7 -52.03 66.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.639 -0.71 . . . . 99.99 110.941 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.713 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.92 -37.12 75.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 99.99 111.033 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG3' ' HE1' ' A' ' 19' ' ' MET . 65.0 mttm -64.34 -44.04 92.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 99.99 111.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.41 -69.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 99.99 111.599 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.9 tpt -50.35 -25.92 4.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.664 . . . . 99.99 111.715 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.38 8.02 47.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.638 -0.792 . . . . 99.99 111.891 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.713 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 2.8 tp -75.32 142.57 75.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.364 . . . . 99.99 110.362 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.626 ' HG2' ' HB2' ' A' ' 28' ' ' LEU . 67.8 Cg_endo -78.45 132.06 10.93 Favored 'Trans proline' 0 N--CA 1.474 0.345 0 C-N-CA 123.242 2.628 . . . . 99.99 113.114 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.615 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 12.9 pt-20 -54.32 -28.08 40.14 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.429 -0.351 . . . . 99.99 110.506 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.0 -47.17 83.81 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.241 -0.436 . . . . 99.99 110.325 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.626 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 3.4 mm? -63.22 -35.9 81.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.132 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.412 ' HB ' ' O ' ' A' ' 26' ' ' GLU . 13.0 mt -57.52 -48.4 83.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.994 -0.548 . . . . 99.99 110.727 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -58.89 -43.92 91.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.156 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -69.35 -31.57 70.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 99.99 111.572 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.32 -23.83 46.27 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.818 -0.706 . . . . 99.99 113.728 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -77.48 -34.6 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.248 0.524 . . . . 99.99 111.613 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.1 -14.04 56.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.538 -0.301 . . . . 99.99 111.415 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.8 mm -114.04 136.94 48.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 99.99 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -78.33 145.69 35.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 99.99 109.988 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.565 ' O ' ' HB2' ' A' ' 8' ' ' GLN . . . -95.61 171.97 29.59 Favored Glycine 0 C--O 1.223 -0.589 0 C-N-CA 120.308 -0.948 . . . . 99.99 111.306 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 t -134.96 132.2 53.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 117.336 0.568 . . . . 99.99 110.969 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 t -136.35 140.25 43.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.546 . . . . 99.99 110.869 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -135.32 126.73 28.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.087 -0.506 . . . . 99.99 110.124 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mt -112.54 119.49 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 99.99 111.791 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.24 114.24 45.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 99.99 109.93 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -98.99 115.69 29.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.102 0.477 . . . . 99.99 111.45 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -137.51 101.44 4.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 99.99 110.515 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.85 -117.73 8.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.718 -0.753 . . . . 99.99 112.375 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -105.8 -12.23 15.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.306 . . . . 99.99 110.933 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -100.86 130.61 46.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.931 0.396 . . . . 99.99 110.948 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.99 126.36 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 99.99 111.094 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -94.43 123.89 38.12 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.598 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.5 tp -114.63 123.8 50.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 99.99 110.913 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 62.7 m -125.33 126.96 45.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.266 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.65 129.03 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 99.99 110.243 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.4 m -118.92 130.3 55.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.029 0.442 . . . . 99.99 111.9 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -121.47 109.18 14.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.736 -0.665 . . . . 99.99 110.378 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.68 -82.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.674 -0.774 . . . . 99.99 112.31 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 t -142.69 16.22 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 99.99 111.324 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -108.19 127.84 54.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 99.99 110.792 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.8 t -99.3 126.32 52.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 99.99 110.97 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 51' ' ' THR . 49.6 mm -113.85 116.23 52.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.985 -0.552 . . . . 99.99 110.565 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -116.42 135.44 53.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.316 -0.402 . . . . 99.99 111.229 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -148.28 161.64 41.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 99.99 110.83 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -144.96 139.0 27.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.242 -0.435 . . . . 99.99 110.669 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -148.44 151.4 35.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.958 0.409 . . . . 99.99 111.731 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.0 m -99.76 131.15 45.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.814 -0.63 . . . . 99.99 110.831 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.12 119.25 16.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 99.99 110.97 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.76 -10.66 62.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.874 -0.679 . . . . 99.99 112.679 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -123.19 157.83 32.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 99.99 110.961 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 36.4 tt0 -86.84 119.2 26.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 99.99 110.619 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.5 t -111.58 157.21 20.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 99.99 110.609 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -98.49 120.55 39.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 99.99 110.876 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -116.46 134.16 55.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.136 0.493 . . . . 99.99 110.953 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 78' ' ' LYS . 6.1 tt0 -85.66 124.28 32.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.717 -0.674 . . . . 99.99 110.483 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -73.47 170.87 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 99.99 111.257 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.0 ttt -60.87 -32.2 71.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 99.99 110.895 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.0 p -62.55 -45.58 92.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 99.99 111.084 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.84 -13.42 4.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.988 -0.625 . . . . 99.99 111.896 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -89.28 124.99 34.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.785 0.326 . . . . 99.99 110.759 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -84.79 141.29 30.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.363 179.632 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.3 m -129.87 159.86 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 99.99 111.033 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -94.38 128.79 41.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.09 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -144.71 141.89 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.853 -0.612 . . . . 99.99 110.892 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 5.3 p -114.02 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.085 0.469 . . . . 99.99 111.219 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.23 122.88 64.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.77 -0.65 . . . . 99.99 110.619 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -130.17 151.71 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.01 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.28 143.39 26.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 99.99 110.359 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -101.33 -21.08 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 99.99 111.191 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.24 -103.7 0.34 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.383 -0.913 . . . . 99.99 113.657 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 17.2 t70 -106.47 121.35 44.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 99.99 111.684 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.574 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 0.3 OUTLIER 57.94 13.82 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.984 -0.553 . . . . 99.99 112.311 178.543 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 12.8 mmtt -135.16 126.04 27.5 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.278 -0.569 . . . . 99.99 112.445 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 43.4 mtt -141.78 131.4 24.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.452 -0.794 . . . . 99.99 110.204 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.4 p -114.23 119.6 61.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.199 0.524 . . . . 99.99 112.052 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 t -133.99 126.79 30.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.654 -0.703 . . . . 99.99 110.38 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.6 m -125.61 137.21 53.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.838 0.351 . . . . 99.99 111.713 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -138.71 129.31 26.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.042 -0.526 . . . . 99.99 110.919 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 60.66 -87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.044 -0.525 . . . . 99.99 111.341 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.88 21.82 0.9 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.787 -0.72 . . . . 99.99 112.482 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 93.8 mt -110.14 138.73 36.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.687 0.279 . . . . 99.99 110.683 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -95.62 118.68 32.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 99.99 110.734 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 112' ' ' THR . 44.7 t -121.47 120.43 34.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.1 -0.5 . . . . 99.99 110.906 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 52.4 t -123.83 122.3 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 99.99 110.448 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.8 m -114.49 129.98 56.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.655 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.529 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 21.7 tt0 -96.01 120.74 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.944 -0.762 . . . . 99.99 108.944 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.574 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -98.47 115.76 29.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.269 0.84 . . . . 99.99 113.269 -177.448 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 108' ' ' THR . 9.7 m120 -126.2 153.11 45.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.404 -0.816 . . . . 99.99 109.774 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.98 20.42 6.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.325 -0.94 . . . . 99.99 112.555 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -148.79 -34.98 0.2 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.625 0.231 . . . . 99.99 111.625 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 66.8 m -140.89 126.05 18.46 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.943 0.402 . . . . 99.99 111.514 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.9 mm -108.27 121.66 61.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.064 -0.516 . . . . 99.99 110.993 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.5 m -115.32 137.89 51.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 99.99 111.484 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 121' ' ' LYS . 29.2 m-80 -120.95 135.69 55.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 99.99 110.43 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 100' ' ' SER . 3.7 m -120.1 116.54 25.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 99.99 111.614 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.545 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 57.6 mtt -124.82 120.43 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 99.99 109.93 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 45.5 m -120.53 120.9 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 99.99 111.814 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -145.18 116.08 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.696 -0.683 . . . . 99.99 110.453 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 70.16 45.38 56.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.64 -0.79 . . . . 99.99 112.53 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.5 t70 66.31 3.58 2.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.64 0.257 . . . . 99.99 111.615 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 21.3 mt -87.28 137.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 99.99 111.139 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.3 t -109.28 117.7 55.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 99.99 111.298 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.545 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 31.1 t80 -113.26 119.23 37.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 99.99 110.091 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.453 ' HB3' ' HG2' ' A' ' 13' ' ' GLU . 40.8 ttmt -129.09 123.48 32.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 99.99 111.209 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -106.05 122.95 47.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.897 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.2 t -106.21 118.82 54.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 99.99 110.537 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.9 p -127.4 147.32 50.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.203 -0.453 . . . . 99.99 110.603 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 7' ' ' TYR . 24.0 mtpp -106.23 148.63 27.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.351 . . . . 99.99 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -86.98 119.66 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.381 -0.372 . . . . 99.99 110.251 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 8.6 pt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 99.99 111.151 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.488 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 38.6 t . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 121.013 0.435 . . . . 99.99 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.28 166.19 14.3 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.724 -0.671 . . . . 99.99 112.134 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.443 ' HG2' ' HG2' ' A' ' 40' ' ' GLU . 12.7 tmtt? -99.87 131.86 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 99.99 110.475 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.61 150.14 50.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 99.99 110.142 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 38' ' ' VAL . 5.7 tp60 -118.55 114.58 23.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.901 0.334 . . . . 99.99 111.901 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.54 117.4 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.478 -0.564 . . . . 99.99 109.478 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' NE2' ' HE3' ' A' ' 125' ' ' LYS . 84.5 mt-30 -89.43 -63.07 1.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.882 0.327 . . . . 99.99 111.882 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -147.18 168.19 22.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.371 . . . . 99.99 111.439 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.547 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 13.7 tm0? -145.28 134.57 22.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.955 -0.566 . . . . 99.99 110.724 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 12.9 pt-20 -106.06 151.62 24.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 99.99 110.722 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.42 ' C ' ' HD2' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 92.24 18.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.108 0.88 . . . . 99.99 111.35 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.69 -49.24 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.431 -0.349 . . . . 99.99 111.845 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 19' ' ' MET . 46.8 mt-10 -54.76 -50.71 84.34 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.271 0.471 . . . . 99.99 112.271 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 55.9 Cg_endo -71.81 -40.48 2.7 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 121.917 1.745 . . . . 99.99 113.178 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -64.37 -41.04 96.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.774 0.321 . . . . 99.99 111.48 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.72 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.74 -37.92 89.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.468 -179.512 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HG3' ' HE2' ' A' ' 19' ' ' MET . 63.6 mttm -70.52 -43.92 68.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.779 0.324 . . . . 99.99 110.785 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -69.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.647 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.0 tpp -51.91 -47.48 64.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.701 -0.681 . . . . 99.99 111.759 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.03 6.07 3.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.232 -0.985 . . . . 99.99 112.737 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.72 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 26.0 tp -74.77 144.13 79.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.242 -0.651 . . . . 99.99 109.242 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 3.8 Cg_endo -95.28 136.77 0.73 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.341 2.694 . . . . 99.99 112.11 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.468 ' HG3' ' HE3' ' A' ' 19' ' ' MET . 2.6 mt-10 -51.53 -30.67 21.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 99.99 110.673 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -54.38 -43.91 71.8 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.291 -0.633 . . . . 99.99 109.291 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.408 ' HB2' ' HD2' ' A' ' 25' ' ' PRO . 11.0 mp -69.69 -35.24 74.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.413 -0.812 . . . . 99.99 110.06 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.497 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 38.0 mt -58.3 -48.72 84.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-N 115.943 -0.571 . . . . 99.99 111.493 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.26 -41.32 99.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.41 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -69.5 -31.52 69.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.434 -0.348 . . . . 99.99 111.157 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.32 -37.4 24.52 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 121.033 -0.603 . . . . 99.99 113.625 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -62.38 -25.66 68.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.075 0.437 . . . . 99.99 111.061 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -89.89 -25.22 21.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.412 -0.358 . . . . 99.99 110.868 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.7 mm -102.43 116.67 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 99.99 111.221 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -80.28 107.47 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.394 . . . . 99.99 110.593 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.41 164.59 6.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.879 -0.677 . . . . 99.99 112.758 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.471 ' HB ' ' HB ' ' A' ' 53' ' ' THR . 12.1 t -122.0 138.91 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 99.99 110.469 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m -127.16 123.42 36.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.039 0.447 . . . . 99.99 111.495 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HG2' ' HG2' ' A' ' 6' ' ' LYS . 37.5 mt-10 -134.21 124.73 26.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.69 -0.686 . . . . 99.99 109.659 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 mt -125.85 127.5 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 99.99 111.912 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 t -106.98 114.79 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 99.99 110.046 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.488 ' H ' ' HB2' ' A' ' 4' ' ' SER . 7.4 t60 -105.49 116.86 32.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.906 0.384 . . . . 99.99 111.142 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -137.71 101.74 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.935 -0.575 . . . . 99.99 110.508 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.56 -100.01 0.51 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.799 -0.715 . . . . 99.99 112.285 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -120.68 -13.07 8.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.83 0.348 . . . . 99.99 110.67 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -93.45 114.3 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 99.99 110.667 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.3 t -120.72 124.37 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 99.99 111.383 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -101.49 130.08 47.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.54 . . . . 99.99 110.673 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 tt -120.81 121.55 38.39 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.936 -0.394 . . . . 99.99 109.936 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.8 m -127.58 126.71 42.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.708 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.0 mm -108.7 123.16 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 99.99 109.696 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.471 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 57.7 m -103.6 130.57 51.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 99.99 111.655 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.522 ' C ' ' H ' ' A' ' 56' ' ' SER . 57.7 t80 -120.77 156.67 31.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.463 -0.789 . . . . 99.99 109.686 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.54 22.33 0.3 Allowed Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.661 -0.78 . . . . 99.99 113.109 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 54' ' ' TYR . 48.0 t -157.4 -45.41 0.07 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.912 0.356 . . . . 99.99 111.515 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -130.13 133.16 46.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.149 0.5 . . . . 99.99 112.212 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.33 139.26 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.724 -0.671 . . . . 99.99 110.395 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.0 mt -123.57 124.6 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.963 0.411 . . . . 99.99 111.66 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -116.88 139.75 50.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.94 -0.573 . . . . 99.99 110.508 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -138.62 162.1 35.46 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.088 0.47 . . . . 99.99 111.567 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -143.88 126.81 16.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.774 -0.648 . . . . 99.99 110.442 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -149.41 151.36 33.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 99.99 111.463 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.9 m -113.33 129.14 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.747 -0.66 . . . . 99.99 110.594 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.16 135.72 25.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 99.99 111.079 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.52 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 61.34 53.34 45.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 99.99 112.404 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -163.72 144.27 8.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.893 0.377 . . . . 99.99 111.205 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -82.68 122.53 28.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.55 . . . . 99.99 110.359 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 79.9 m -123.48 152.25 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.364 . . . . 99.99 111.112 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -98.52 120.38 38.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 99.99 110.833 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.5 tp -120.25 145.91 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.9 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -85.45 123.79 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.997 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 p -83.58 166.08 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 99.99 111.027 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -69.38 -12.73 61.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 99.99 110.815 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -81.47 -30.64 33.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 99.99 110.844 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.36 8.55 23.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.951 -0.642 . . . . 99.99 112.344 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -107.91 143.09 37.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.867 0.365 . . . . 99.99 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -85.24 125.14 32.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.046 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.11 146.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.044 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -105.01 135.72 45.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.799 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.57 142.52 28.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.266 -0.425 . . . . 99.99 111.677 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 t -97.6 121.78 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.854 -0.612 . . . . 99.99 110.585 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 p -106.24 120.51 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.252 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.52 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 33.7 mtmm -134.81 152.09 51.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.066 -0.516 . . . . 99.99 110.999 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.66 141.19 34.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 99.99 110.64 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.406 ' H ' ' HA ' ' A' ' 91' ' ' MET . 11.3 tp10 -89.58 -20.63 23.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 99.99 110.844 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.51 -104.79 0.55 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.583 -0.818 . . . . 99.99 113.468 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -96.62 126.99 42.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.389 . . . . 99.99 111.617 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 2.4 p-10 49.67 12.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.101 -0.954 . . . . 99.99 112.714 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -137.84 128.96 27.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.17 0.509 . . . . 99.99 112.163 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.406 ' HA ' ' H ' ' A' ' 86' ' ' GLU . 58.4 mtt -141.76 133.02 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.26 -0.882 . . . . 99.99 109.504 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.12 119.04 59.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.888 0.699 . . . . 99.99 112.888 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.3 t -134.15 127.2 31.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.309 -0.86 . . . . 99.99 109.77 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.9 m -120.73 128.9 53.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.01 0.433 . . . . 99.99 112.054 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.441 ' HE1' ' HB2' ' A' ' 100' ' ' SER . 32.4 p90 -138.32 127.04 23.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.703 -0.68 . . . . 99.99 110.197 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 97' ' ' GLY . 14.3 mmmm 52.54 -155.23 0.18 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.503 -0.317 . . . . 99.99 110.533 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.41 ' H ' ' HB3' ' A' ' 96' ' ' LYS . . . -83.0 28.26 3.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.657 -0.783 . . . . 99.99 112.54 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.7 mp -121.51 137.95 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.698 0.285 . . . . 99.99 110.978 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -97.17 127.25 42.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.328 -0.396 . . . . 99.99 110.717 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.441 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 46.2 t -121.76 121.06 36.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 99.99 111.127 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.81 122.11 56.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 99.99 110.262 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 88.5 m -114.42 131.2 56.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 99.99 111.758 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.427 ' HG2' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -96.25 127.27 42.11 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.175 -0.676 . . . . 99.99 109.175 178.574 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.584 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.11 116.55 31.75 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.874 0.694 . . . . 99.99 112.874 -178.222 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.448 ' C ' ' H ' ' A' ' 107' ' ' ASP . 6.6 m120 -125.08 153.82 42.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.666 -0.697 . . . . 99.99 109.964 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.48 30.57 0.85 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.641 -0.79 . . . . 99.99 113.02 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 105' ' ' ASN . 4.0 p30 -169.23 -20.38 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.905 0.352 . . . . 99.99 111.711 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -140.95 145.23 35.76 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.258 0.466 . . . . 99.99 112.258 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.4 mm -132.48 120.54 42.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.813 -0.631 . . . . 99.99 110.839 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.1 m -116.19 137.17 52.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.577 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.477 ' HB3' ' HB3' ' A' ' 122' ' ' ARG . 2.8 t-20 -113.3 131.84 55.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.326 -0.397 . . . . 99.99 110.379 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 100' ' ' SER . 4.4 m -120.4 116.76 26.12 Favored 'General case' 0 N--CA 1.461 0.081 0 N-CA-C 112.551 0.575 . . . . 99.99 112.551 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.506 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 65.8 mtm -125.44 120.84 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 99.99 109.691 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.0 m -121.62 125.1 45.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 99.99 111.952 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.2 tp -135.16 115.54 13.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.953 -0.567 . . . . 99.99 110.424 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.28 -73.97 2.28 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.737 -0.744 . . . . 99.99 112.304 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -164.23 16.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.067 0.46 . . . . 99.99 110.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.5 mt -105.22 137.54 34.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.935 -0.575 . . . . 99.99 111.085 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.7 t -108.94 117.43 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.102 0.477 . . . . 99.99 111.607 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.506 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 29.1 t80 -101.86 119.8 39.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.405 -0.816 . . . . 99.99 110.071 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.547 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 53.5 mtmt -128.04 124.36 36.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.536 -0.302 . . . . 99.99 111.741 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.477 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 23.4 ttm180 -105.74 124.74 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 99.99 110.368 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 40.3 t -103.29 120.32 53.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 99.99 110.819 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 49.7 m -133.23 139.43 46.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 99.99 111.252 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.437 ' HE3' ' NE2' ' A' ' 10' ' ' GLN . 13.8 ptpt -106.91 141.1 38.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.061 -0.518 . . . . 99.99 110.814 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -79.71 122.79 27.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 99.99 110.667 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 42.0 pt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.202 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.42 ' HB3' ' O ' ' A' ' 41' ' ' ILE . 26.8 m . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.704 0.288 . . . . 99.99 110.518 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.22 169.82 24.96 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.9 -0.667 . . . . 99.99 112.945 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmmm? -105.11 126.51 52.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.841 0.353 . . . . 99.99 110.661 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -113.35 150.75 32.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 99.99 110.962 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 124' ' ' SER . 7.6 tp-100 -122.27 126.07 47.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 99.99 111.251 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.53 143.53 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 99.99 110.052 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -113.93 -41.64 3.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.573 -0.285 . . . . 99.99 111.766 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -169.62 168.78 9.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.989 0.423 . . . . 99.99 111.442 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -144.61 133.62 22.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.91 -0.587 . . . . 99.99 110.845 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -98.38 139.55 33.98 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.441 -0.345 . . . . 99.99 110.774 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 58.94 94.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.483 -0.326 . . . . 99.99 110.88 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.83 -40.03 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.489 -0.323 . . . . 99.99 111.101 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 13.9 mm-40 -52.67 -48.45 90.65 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 112.443 0.534 . . . . 99.99 112.443 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 43.9 Cg_endo -68.75 -40.23 7.5 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 121.651 1.567 . . . . 99.99 112.461 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.48 -50.89 65.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.463 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.633 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.94 -38.47 76.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.385 -0.371 . . . . 99.99 111.454 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 70.5 mttt -65.5 -40.87 93.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.378 . . . . 99.99 110.774 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.74 -12.87 61.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 99.99 111.145 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.2 tpp -104.74 -75.56 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 99.99 110.828 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 8.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.971 -0.633 . . . . 99.99 112.188 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.633 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -83.11 118.27 71.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 110.481 -0.192 . . . . 99.99 110.481 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.46 133.27 31.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.361 2.04 . . . . 99.99 112.3 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -50.79 -31.19 16.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.846 -0.616 . . . . 99.99 112.117 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -62.99 -42.19 99.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.656 0.265 . . . . 99.99 111.219 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.27 -39.28 82.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.367 . . . . 99.99 111.244 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 mp -60.15 -41.23 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.455 -0.339 . . . . 99.99 111.563 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 29.5 mm-40 -53.85 -47.03 71.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 99.99 110.931 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.1 -31.98 71.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 99.99 110.71 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.28 -53.65 20.63 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.992 -0.623 . . . . 99.99 113.225 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -56.16 -31.35 63.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 99.99 111.389 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -66.2 -26.8 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 99.99 110.832 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.5 mt -113.18 117.01 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.175 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.36 125.34 23.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.712 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.41 155.14 52.88 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.005 -0.617 . . . . 99.99 112.7 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 t -122.27 133.5 68.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.31 -0.256 . . . . 99.99 110.31 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -135.09 144.98 47.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.961 0.41 . . . . 99.99 111.799 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -134.8 141.78 46.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 99.99 110.078 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 4' ' ' SER . 28.0 mm -122.21 117.71 53.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.828 0.347 . . . . 99.99 111.771 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 85.1 t -109.7 114.55 47.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 99.99 110.418 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.409 ' HB3' ' OG ' ' A' ' 4' ' ' SER . 20.7 t-80 -105.06 115.7 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 99.99 110.956 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -138.4 106.33 5.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.07 -0.514 . . . . 99.99 111.529 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 50.52 62.25 5.32 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.14 -0.552 . . . . 99.99 113.488 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 68.31 -17.56 0.17 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.321 0.489 . . . . 99.99 112.321 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 45' ' ' GLY . 56.3 mtpt -91.54 108.25 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 99.99 110.508 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 61.0 t -109.19 127.49 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 99.99 111.298 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HG2' ' HB3' ' A' ' 62' ' ' GLU . 97.0 mttt -103.03 137.88 40.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 99.99 110.941 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.0 tp -111.09 123.86 51.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 99.99 110.738 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.0 m -123.28 126.21 46.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.878 0.371 . . . . 99.99 111.024 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mt -131.4 130.39 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.736 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -120.02 129.9 54.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.368 . . . . 99.99 111.548 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -121.66 109.02 14.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.926 -0.579 . . . . 99.99 110.62 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.94 -85.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.565 -0.826 . . . . 99.99 112.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.1 p -136.37 13.84 3.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.567 0.222 . . . . 99.99 111.326 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -109.54 121.57 45.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 99.99 111.319 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.12 126.69 52.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.103 0.478 . . . . 99.99 110.709 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.7 mm -115.57 116.38 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 99.99 110.659 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -116.95 130.05 56.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.534 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -138.82 161.13 38.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 99.99 110.529 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 10.2 pt-20 -143.53 140.54 30.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 99.99 111.054 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -148.7 145.19 27.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.419 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.473 ' HB ' ' HB2' ' A' ' 67' ' ' GLU . 53.6 m -104.68 131.12 52.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.898 -0.592 . . . . 99.99 110.853 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.9 mt -55.57 139.46 44.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 99.99 111.11 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.511 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 56.76 27.84 56.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.025 -0.607 . . . . 99.99 112.695 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 11.3 mm-40 -141.65 138.15 32.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.946 0.403 . . . . 99.99 110.979 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 41.3 tt0 -86.6 120.5 27.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 99.99 110.496 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.9 t -115.92 157.27 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 99.99 111.137 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.21 122.41 39.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 99.99 110.566 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tt -117.7 143.69 45.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 99.99 110.941 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -86.33 121.88 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 99.99 110.718 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 m -87.47 164.68 16.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 99.99 111.126 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.2 ttm -69.25 -24.62 64.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.674 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -66.04 -13.22 59.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.895 -0.593 . . . . 99.99 111.249 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.34 -20.44 46.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.823 -0.703 . . . . 99.99 112.263 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -96.44 145.61 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.333 . . . . 99.99 111.07 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -84.7 141.37 30.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 99.99 111.416 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.76 134.07 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 99.99 111.013 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -90.79 136.72 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.978 0.418 . . . . 99.99 111.184 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.44 142.52 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 99.99 111.57 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.415 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 6.8 p -110.32 123.4 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 99.99 110.591 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.65 133.27 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.908 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.511 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 70.0 mttt -131.91 152.09 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.939 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -106.34 142.25 36.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 99.99 111.104 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -102.29 -11.88 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.918 -0.583 . . . . 99.99 110.357 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.92 -127.68 5.24 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.589 -0.732 . . . . 99.99 112.64 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 14.2 m-20 -101.04 128.39 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.881 0.372 . . . . 99.99 110.906 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 1.5 m-20 79.6 -7.71 1.67 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.046 -0.979 . . . . 99.99 112.51 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 128.76 39.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.579 0.585 . . . . 99.99 112.579 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.1 mmt -141.62 136.97 31.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.266 -0.879 . . . . 99.99 109.86 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.4 p -129.72 121.41 52.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.223 0.535 . . . . 99.99 112.013 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.6 t -133.36 135.68 44.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.625 -0.716 . . . . 99.99 110.386 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.8 p -125.21 129.17 49.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.864 0.364 . . . . 99.99 111.652 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -138.79 127.5 23.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 99.99 110.915 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.613 ' HB3' ' HZ3' ' A' ' 96' ' ' LYS . 7.4 ttpm? 61.85 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 99.99 111.338 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -157.7 8.78 0.21 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.691 -0.766 . . . . 99.99 112.554 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 79.2 mt -101.01 137.8 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.746 0.308 . . . . 99.99 111.064 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -97.84 121.63 39.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 99.99 110.701 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 112' ' ' THR . 68.9 m -120.36 120.51 36.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 99.99 110.773 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 56.0 t -121.13 122.55 67.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.953 -0.567 . . . . 99.99 110.341 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 m -114.24 130.57 56.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.1 -0.5 . . . . 99.99 111.71 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 41.4 tt0 -96.32 121.81 38.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.813 -0.63 . . . . 99.99 109.332 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -101.4 116.11 32.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.18 0.514 . . . . 99.99 112.126 -178.639 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 108' ' ' THR . 9.7 m120 -125.69 154.16 42.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.634 -0.712 . . . . 99.99 110.027 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.43 36.77 1.79 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.389 -0.91 . . . . 99.99 112.858 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -171.33 -36.82 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 111.972 0.36 . . . . 99.99 111.972 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 62.8 m -140.7 127.07 19.89 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.37 0.507 . . . . 99.99 112.37 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp -112.41 129.57 67.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.114 -0.494 . . . . 99.99 110.809 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 89.8 m -115.28 140.03 49.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 99.99 111.322 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.497 ' HB3' ' HB3' ' A' ' 122' ' ' ARG . 8.4 t30 -114.03 132.34 56.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 99.99 110.573 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 100' ' ' SER . 1.6 m -118.98 117.13 27.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.818 0.342 . . . . 99.99 111.758 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 61.6 mtt -124.64 121.31 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 99.99 110.212 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.5 m -119.5 121.97 40.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 99.99 111.911 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.6 tp -143.78 115.44 8.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 99.99 110.504 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.14 45.24 72.68 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.811 -0.709 . . . . 99.99 112.558 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 65.02 5.89 3.18 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.551 0.215 . . . . 99.99 111.526 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.6 mt -90.16 136.25 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.705 0.288 . . . . 99.99 110.737 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -101.08 136.88 30.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.217 0.532 . . . . 99.99 111.857 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.4 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 31.5 t80 -132.44 119.29 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.512 -0.767 . . . . 99.99 109.833 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -128.94 122.91 31.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.731 0.301 . . . . 99.99 111.383 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.497 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 42.8 ttp180 -103.04 132.65 49.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.693 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.4 t -102.46 119.12 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 99.99 110.296 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 13.8 m -133.02 141.75 48.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 99.99 111.371 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.678 ' HZ1' ' HB2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -118.17 149.07 41.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.862 -0.608 . . . . 99.99 110.708 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -82.16 129.09 34.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 99.99 110.886 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.4 pt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 99.99 111.104 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.843 0.354 . . . . 99.99 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.71 145.15 4.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 99.99 112.651 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -94.25 139.16 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 99.99 111.039 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -128.31 150.28 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.608 . . . . 99.99 110.555 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.13 123.66 46.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.323 . . . . 99.99 111.622 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -71.56 133.77 31.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 116.246 -0.434 . . . . 99.99 110.358 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -106.47 -37.91 6.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.908 0.336 . . . . 99.99 111.908 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 t -156.51 167.65 29.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.041 0.448 . . . . 99.99 111.74 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.482 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 14.5 tm0? -145.85 154.98 42.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.675 -0.693 . . . . 99.99 110.342 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 42.1 mt-10 -113.78 136.88 52.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.67 0.271 . . . . 99.99 111.325 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 93.8 m-20 66.52 120.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.032 -0.531 . . . . 99.99 111.301 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.407 ' HB3' ' CG2' ' A' ' 29' ' ' ILE . 17.4 m-85 -130.07 -61.97 0.96 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.461 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 19' ' ' MET . 45.2 mt-10 -48.28 -47.45 67.31 Favored Pre-proline 0 N--CA 1.463 0.225 0 CA-C-N 116.043 -0.526 . . . . 99.99 111.897 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 32.5 Cg_exo -58.11 -40.75 74.28 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 121.662 1.575 . . . . 99.99 112.192 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.7 -52.48 60.36 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.147 0.425 . . . . 99.99 112.147 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.689 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -59.73 -37.44 78.93 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.648 0.261 . . . . 99.99 111.499 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 92.5 mttt -70.05 -45.2 67.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.587 -0.279 . . . . 99.99 111.533 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.09 -75.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.977 0.418 . . . . 99.99 111.867 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.5 tpp -47.23 -36.93 9.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.585 -0.734 . . . . 99.99 112.015 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.87 10.18 21.44 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.528 -0.844 . . . . 99.99 112.143 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.689 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 24.0 tp -74.26 149.56 86.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 108.747 -0.835 . . . . 99.99 108.747 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 3.1 Cg_exo -82.45 125.91 4.6 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.723 2.282 . . . . 99.99 112.519 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB3' ' SD ' ' A' ' 19' ' ' MET . 13.3 pt-20 -52.78 -33.37 48.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.052 -0.522 . . . . 99.99 111.187 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.37 -46.97 88.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.308 -0.406 . . . . 99.99 110.296 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.3 mp -63.7 -36.11 82.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.843 -0.617 . . . . 99.99 110.417 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 19' ' ' MET . 3.8 mt -57.62 -48.78 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.2 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.472 ' HA ' ' HD3' ' A' ' 33' ' ' LYS . 80.7 mm-40 -60.34 -42.91 96.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.022 -0.535 . . . . 99.99 111.543 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -68.72 -31.73 71.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.474 -0.33 . . . . 99.99 111.252 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.19 -33.42 32.5 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.891 -0.671 . . . . 99.99 113.368 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 17.9 ptmt -77.29 -27.54 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 99.99 111.427 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -73.88 -25.6 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.345 -0.389 . . . . 99.99 111.116 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -113.04 124.28 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 99.99 111.28 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -60.73 110.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 99.99 111.012 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.69 173.93 29.42 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.942 -0.647 . . . . 99.99 112.576 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 p -132.91 142.56 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 99.99 111.158 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -135.88 122.97 21.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 99.99 110.634 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -125.0 143.34 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.612 0.244 . . . . 99.99 110.685 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.1 mt -127.0 119.61 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 99.99 111.476 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.0 t -108.33 114.69 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 99.99 110.476 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -103.57 114.93 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 99.99 111.024 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -138.87 104.26 5.02 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.089 -0.505 . . . . 99.99 111.564 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 50.19 60.65 6.48 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 121.191 -0.528 . . . . 99.99 113.53 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 69.16 -18.61 0.18 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.18 0.437 . . . . 99.99 112.18 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 45' ' ' GLY . 5.1 mptp? -90.36 108.37 19.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 99.99 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 49.1 t -106.41 140.51 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 99.99 111.797 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.516 ' HG2' ' HG2' ' A' ' 62' ' ' GLU . 36.0 mtmm -118.49 128.32 54.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.672 -0.695 . . . . 99.99 110.347 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.29 128.7 54.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 99.99 111.075 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.8 m -125.78 126.16 44.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.032 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.5 mt -131.44 136.87 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 99.99 110.701 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.5 m -118.22 130.13 55.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 99.99 111.417 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -121.53 108.98 14.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 99.99 110.266 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.58 -83.82 0.2 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.738 -0.744 . . . . 99.99 112.382 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -142.76 18.28 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 99.99 110.969 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -111.09 136.37 50.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 99.99 110.965 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.91 126.29 59.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.051 -0.522 . . . . 99.99 110.522 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.0 mt -119.21 115.95 49.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 99.99 110.785 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -118.9 143.21 47.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.545 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -149.14 149.82 31.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 99.99 110.676 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.516 ' HG2' ' HG2' ' A' ' 49' ' ' LYS . 38.1 mt-10 -125.46 134.61 52.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 99.99 111.015 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.417 ' HA ' ' SG ' ' A' ' 69' ' ' CYS . 8.2 p90 -148.94 151.56 34.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.325 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 m -107.62 131.15 54.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.034 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 pp -58.95 158.48 8.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.033 -0.53 . . . . 99.99 111.424 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.525 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 47.81 35.06 11.75 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.91 -0.586 . . . . 99.99 112.985 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -161.91 142.9 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 99.99 110.952 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.3 120.0 20.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 99.99 110.702 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 63' ' ' PHE . 31.6 t -118.85 157.12 28.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.39 -0.368 . . . . 99.99 110.651 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.504 ' HG2' ' HE2' ' A' ' 78' ' ' LYS . 42.2 tt0 -107.84 120.56 42.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 99.99 111.184 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -119.05 146.81 44.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 99.99 110.863 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -84.55 131.39 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 99.99 110.827 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.4 p -93.23 177.43 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 99.99 111.263 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.9 ptp -67.14 -26.96 66.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 99.99 110.791 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.417 ' HG1' ' H ' ' A' ' 77' ' ' GLU . 30.1 p -79.1 -4.45 50.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 99.99 111.171 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.68 -14.16 56.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.569 -0.824 . . . . 99.99 112.189 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' H ' ' HG1' ' A' ' 75' ' ' THR . 44.6 tt0 -75.46 140.31 42.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.809 0.338 . . . . 99.99 110.76 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HE2' ' HG2' ' A' ' 70' ' ' GLU . 14.4 mmmm -90.96 125.44 35.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.075 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.7 m -121.87 147.38 25.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.172 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -106.5 136.58 46.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.282 -0.417 . . . . 99.99 110.791 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.62 143.37 28.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.696 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.3 t -99.6 115.09 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 99.99 110.62 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.3 122.9 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.988 0.423 . . . . 99.99 111.171 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.525 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 22.6 mtpp -134.39 151.74 51.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.925 -0.58 . . . . 99.99 110.565 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -94.29 137.71 33.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.3 -0.409 . . . . 99.99 110.669 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -100.2 -12.13 19.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.041 0.448 . . . . 99.99 110.676 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.29 109.3 2.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 99.99 113.365 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER 54.19 -134.44 1.59 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.251 0.548 . . . . 99.99 111.11 179.052 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.61 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 8.8 p30 -45.6 0.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.615 -1.175 . . . . 99.99 113.67 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.603 ' HD3' ' O ' ' A' ' 89' ' ' ASN . 69.8 mmtt -128.89 123.33 32.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 118.716 0.689 . . . . 99.99 112.774 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.7 mtp -139.5 129.99 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.114 -0.948 . . . . 99.99 109.259 177.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.41 118.31 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.247 0.546 . . . . 99.99 112.464 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 t -134.59 129.39 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.432 -0.803 . . . . 99.99 110.038 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -124.38 128.55 49.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 99.99 112.124 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -136.21 123.31 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.671 -0.695 . . . . 99.99 109.74 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp 55.13 -153.73 0.31 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 99.99 110.163 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.19 12.86 35.74 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.52 -0.847 . . . . 99.99 112.651 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 25.8 mm -102.9 133.06 47.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 99.99 111.042 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -100.05 121.59 41.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.454 -0.339 . . . . 99.99 110.585 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 112' ' ' THR . 27.9 p -121.5 120.86 36.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 99.99 111.327 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 71.0 t -125.28 122.82 63.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.841 -0.618 . . . . 99.99 110.179 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.4 m -113.5 132.08 55.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.383 . . . . 99.99 111.721 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.61 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 21.1 tt0 -99.58 120.22 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 99.99 110.042 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.585 ' N ' ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -95.14 115.07 26.95 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 113.15 0.796 . . . . 99.99 113.15 -178.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 108' ' ' THR . 0.9 OUTLIER -125.87 153.34 44.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.947 -1.024 . . . . 99.99 109.992 178.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.5 27.65 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.375 -0.917 . . . . 99.99 112.521 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -151.19 -47.67 0.12 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 120.694 0.283 . . . . 99.99 111.438 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 58.0 m -138.93 123.65 18.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.853 0.358 . . . . 99.99 111.448 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.1 mp -102.68 124.19 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 99.99 110.755 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.4 m -115.58 139.67 49.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.328 -0.396 . . . . 99.99 111.71 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.602 ' HB3' ' HG2' ' A' ' 122' ' ' ARG . 6.7 t30 -119.51 139.52 51.97 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.464 -0.335 . . . . 99.99 110.596 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 100' ' ' SER . 0.6 OUTLIER -119.51 119.14 32.98 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.201 0.445 . . . . 99.99 112.201 -179.194 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.537 ' HG3' ' ND2' ' A' ' 111' ' ' ASN . 67.1 mtt -124.12 120.5 32.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.545 . . . . 99.99 109.609 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.4 m -127.37 125.44 40.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.224 0.453 . . . . 99.99 112.224 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -127.58 115.57 19.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.783 -0.644 . . . . 99.99 109.863 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.63 -79.28 0.7 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.664 -0.779 . . . . 99.99 112.03 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -149.69 4.88 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 99.99 110.818 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.3 mt -87.35 137.84 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 99.99 111.754 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.3 t -110.72 117.0 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.969 -0.559 . . . . 99.99 110.806 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.512 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 27.7 t80 -115.35 117.26 29.93 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.725 -0.472 . . . . 99.99 109.725 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.482 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 39.9 ttpt -130.46 132.22 45.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 99.99 111.537 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.602 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 16.7 ptt180 -116.67 131.23 57.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 99.99 111.186 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.66 119.5 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 99.99 110.352 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.0 m -119.56 140.29 50.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.94 0.4 . . . . 99.99 111.57 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.68 140.08 40.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.909 -0.587 . . . . 99.99 110.47 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -71.0 127.7 33.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 99.99 111.074 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.5 pt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.026 -0.534 . . . . 99.99 111.132 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.787 0.327 . . . . 99.99 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.88 177.41 43.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.693 -0.765 . . . . 99.99 112.398 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.48 ' HG3' ' HG2' ' A' ' 40' ' ' GLU . 75.9 tttt -119.57 124.11 45.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.32 . . . . 99.99 110.8 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -125.99 146.48 49.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 99.99 110.463 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 124' ' ' SER . 0.0 OUTLIER -116.97 128.81 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 99.99 111.607 -178.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.7 t -69.71 126.12 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 99.99 109.974 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.525 ' HG2' ' HZ1' ' A' ' 36' ' ' LYS . 53.7 mt-30 -101.04 -37.53 8.57 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.828 0.307 . . . . 99.99 111.828 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.7 t -166.09 162.32 17.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.129 0.49 . . . . 99.99 111.67 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.542 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 12.9 tm0? -145.25 132.62 20.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.782 -0.645 . . . . 99.99 110.351 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.78 134.68 37.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.688 0.28 . . . . 99.99 111.024 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 62.79 100.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 99.99 110.974 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -55.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.984 -0.553 . . . . 99.99 111.127 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.502 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 40.2 mt-10 -48.86 -48.6 70.82 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 112.858 0.688 . . . . 99.99 112.858 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 40.1 Cg_endo -66.58 -40.9 12.51 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.737 1.625 . . . . 99.99 113.301 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.71 -49.88 55.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 99.99 111.323 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.631 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.45 -45.08 95.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 99.99 112.046 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.551 ' N ' ' SD ' ' A' ' 19' ' ' MET . 12.0 tttm -70.43 -39.05 74.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.35 -0.386 . . . . 99.99 111.444 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.68 -11.97 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.084 0.469 . . . . 99.99 110.515 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.8 tpt -101.18 -69.43 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.681 -0.69 . . . . 99.99 110.653 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.55 6.48 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.947 -0.644 . . . . 99.99 112.564 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 14.3 tp -80.98 139.17 49.53 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 122.979 -0.13 . . . . 99.99 110.705 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 1.8 Cg_endo -83.45 123.72 3.46 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.178 2.585 . . . . 99.99 112.712 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 35.1 tt0 -52.32 -28.35 18.87 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.215 -0.448 . . . . 99.99 112.168 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.25 -49.05 77.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.669 0.248 . . . . 99.99 111.669 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.4 -37.7 74.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.166 0.508 . . . . 99.99 110.905 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.4 mt -62.77 -40.4 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.483 -0.78 . . . . 99.99 112.43 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 25.9 mm-40 -54.45 -47.9 72.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 99.99 111.078 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -69.81 -31.54 69.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.558 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.55 -30.4 49.18 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.901 -0.666 . . . . 99.99 114.105 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.3 -28.85 64.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.257 0.528 . . . . 99.99 111.171 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.03 -6.5 54.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.917 0.389 . . . . 99.99 110.586 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.3 mt -114.27 125.1 71.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.922 -0.581 . . . . 99.99 111.178 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HZ1' ' HG2' ' A' ' 10' ' ' GLN . 27.5 mtpp -61.66 114.63 3.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 99.99 110.479 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.72 160.7 18.85 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.847 -0.692 . . . . 99.99 112.632 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.4 t -122.62 133.34 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.57 0.224 . . . . 99.99 110.68 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.8 p -135.07 128.33 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 99.99 111.289 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HG2' ' HG3' ' A' ' 6' ' ' LYS . 41.4 mt-10 -134.61 127.72 31.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 99.99 110.56 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.3 mp -113.75 119.11 60.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.881 0.372 . . . . 99.99 111.46 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 91.6 t -108.36 114.68 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 99.99 110.329 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -103.1 116.28 32.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.766 0.317 . . . . 99.99 111.172 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -138.13 101.93 4.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.136 -0.483 . . . . 99.99 111.482 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 47.38 64.97 2.55 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.275 -0.488 . . . . 99.99 113.31 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt 68.58 -17.84 0.18 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.173 0.434 . . . . 99.99 112.173 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 45' ' ' GLY . 59.7 mtpt -90.42 108.62 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.119 -0.326 . . . . 99.99 110.119 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 60.5 t -108.28 124.97 65.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.981 0.419 . . . . 99.99 111.887 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -99.02 127.0 44.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.882 -0.599 . . . . 99.99 110.032 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.98 124.26 51.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 99.99 110.826 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.3 m -125.68 127.22 45.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 99.99 111.357 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.2 mm -127.71 127.65 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 99.99 110.456 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.3 m -111.09 131.13 55.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.015 0.436 . . . . 99.99 111.702 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -120.67 109.41 15.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.774 -0.648 . . . . 99.99 110.422 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.18 -85.07 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 99.99 112.497 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.3 p -138.59 13.76 2.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.713 0.292 . . . . 99.99 111.416 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -112.95 129.67 56.4 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.389 -0.369 . . . . 99.99 111.202 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.9 t -102.32 126.42 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 99.99 110.583 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -112.16 121.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.825 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -109.88 144.31 38.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.518 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -147.75 161.68 40.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.945 -0.57 . . . . 99.99 110.78 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -145.26 129.05 17.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 99.99 111.126 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -148.61 152.65 37.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.146 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 67' ' ' GLU . 33.1 m -96.0 131.96 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 99.99 110.717 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -41.83 -93.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.932 0.715 . . . . 99.99 112.932 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . -74.91 40.91 1.21 Allowed Glycine 0 C--N 1.316 -0.545 0 CA-C-N 115.467 -0.788 . . . . 99.99 113.698 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 16.6 mm-40 -149.76 132.47 15.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 99.99 110.752 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -74.17 119.07 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 99.99 110.515 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.5 t -116.52 157.43 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 99.99 110.996 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -98.2 119.35 36.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.118 -0.492 . . . . 99.99 110.989 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.56 145.72 38.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 99.99 110.747 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -85.97 134.17 33.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 99.99 111.008 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.6 p -89.57 171.32 9.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 99.99 110.926 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.9 tpp -68.97 -25.62 64.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.82 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.6 p -78.89 -23.43 44.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 99.99 111.018 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.15 7.98 34.46 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.833 -0.699 . . . . 99.99 111.99 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -88.92 146.06 25.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 99.99 110.86 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -91.42 119.15 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 99.99 110.776 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.17 146.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.21 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.6 ' HB3' ' HZ3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -108.57 132.91 53.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 99.99 110.619 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.53 142.37 27.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.95 0.405 . . . . 99.99 111.607 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.4 p -123.52 115.01 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 99.99 110.813 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 p -109.77 116.02 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 99.99 110.934 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 91' ' ' MET . 26.3 mtpp -104.64 143.36 33.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.398 -0.364 . . . . 99.99 110.909 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.12 140.54 44.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.008 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -104.12 -21.95 13.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.801 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.95 33.47 62.68 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.65 -0.786 . . . . 99.99 112.315 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -151.42 59.1 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.459 0.171 . . . . 99.99 111.155 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.611 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 9.3 t30 54.85 14.24 0.87 Allowed 'General case' 0 C--O 1.225 -0.196 0 CA-C-O 120.644 0.259 . . . . 99.99 110.997 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.7 128.39 30.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.204 0.526 . . . . 99.99 112.132 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 54.9 ttm -142.02 146.79 35.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.242 -0.89 . . . . 99.99 109.867 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -131.54 122.36 50.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.047 0.451 . . . . 99.99 112.048 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.8 t -133.65 135.25 44.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.83 -0.623 . . . . 99.99 110.76 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.2 p -126.24 126.34 43.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.664 0.269 . . . . 99.99 111.566 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -139.14 128.1 23.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 99.99 111.209 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm 58.53 22.23 9.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 99.99 112.091 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.4 4.2 83.67 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.583 -0.818 . . . . 99.99 112.967 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 69.0 mt -90.19 139.11 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.575 0.226 . . . . 99.99 110.426 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -95.89 118.07 31.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.89 0.376 . . . . 99.99 111.226 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 112' ' ' THR . 62.1 m -122.41 120.28 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.576 . . . . 99.99 110.74 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.7 t -108.74 120.32 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.4 . . . . 99.99 110.753 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.415 ' O ' ' HB3' ' A' ' 91' ' ' MET . 40.0 m -116.47 122.82 45.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.55 . . . . 99.99 111.662 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -96.65 131.78 42.97 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.304 -0.628 . . . . 99.99 109.304 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.611 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.07 116.17 31.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.112 0.782 . . . . 99.99 113.112 -177.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.43 153.57 43.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.258 -0.883 . . . . 99.99 110.223 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.03 36.47 1.7 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.631 -0.795 . . . . 99.99 112.856 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -172.89 -28.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.859 0.318 . . . . 99.99 111.859 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.0 m -140.97 133.52 28.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.895 0.378 . . . . 99.99 111.86 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.6 mm -118.47 121.57 67.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.902 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -110.91 139.3 46.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.401 -0.363 . . . . 99.99 111.325 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -123.93 131.74 53.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.281 -0.418 . . . . 99.99 111.022 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.554 ' O ' ' HA ' ' A' ' 100' ' ' SER . 1.8 m -120.29 118.39 30.3 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.392 -0.367 . . . . 99.99 111.491 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.613 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 63.8 mtt -124.38 127.37 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.079 -0.341 . . . . 99.99 110.079 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.5 m -120.67 121.81 39.09 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.985 0.422 . . . . 99.99 111.976 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -144.59 115.78 7.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.814 -0.63 . . . . 99.99 109.855 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.43 95.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.542 -0.837 . . . . 99.99 112.268 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 66.82 5.59 4.08 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 122.382 0.273 . . . . 99.99 111.656 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.4 mt -87.5 137.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.589 -0.278 . . . . 99.99 110.75 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.2 t -105.13 134.28 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.179 0.514 . . . . 99.99 111.747 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.613 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 42.1 t80 -125.11 120.15 30.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.563 -0.744 . . . . 99.99 110.032 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.542 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 40.4 ttpt -128.22 124.25 36.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.462 -0.336 . . . . 99.99 111.322 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -112.41 122.77 48.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 99.99 110.567 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 62.1 t -102.51 119.59 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.942 -0.572 . . . . 99.99 110.57 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 89.1 p -130.24 138.95 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.854 0.359 . . . . 99.99 111.051 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.28 144.42 44.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.058 -0.519 . . . . 99.99 110.869 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -71.34 133.89 46.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 99.99 111.151 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.2 pt . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.065 179.722 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.781 0.324 . . . . 99.99 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.57 167.44 38.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.777 . . . . 99.99 112.579 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -107.29 118.73 37.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 99.99 110.539 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -119.63 150.57 40.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 99.99 110.742 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 124' ' ' SER . 7.7 tp-100 -126.22 129.88 49.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 99.99 110.848 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.6 t -68.99 136.47 26.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.489 . . . . 99.99 110.611 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -109.14 -42.49 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 99.99 111.3 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -161.4 163.05 30.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.05 0.453 . . . . 99.99 111.47 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.573 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 7.9 tm0? -145.68 133.07 20.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.737 -0.665 . . . . 99.99 110.26 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -94.27 126.59 39.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.726 -0.216 . . . . 99.99 110.671 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 80.15 148.23 0.09 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.89 0.744 . . . . 99.99 111.122 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -166.95 -45.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 99.99 111.522 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . 10.0 mm-40 -63.18 -49.9 78.08 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.163 0.431 . . . . 99.99 112.163 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.552 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 12.2 Cg_exo -70.43 -41.47 3.4 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.983 1.789 . . . . 99.99 112.685 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -59.95 -52.15 66.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 99.99 111.056 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.584 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 23.0 mmt -65.46 -38.38 89.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.609 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' NZ ' ' HB3' ' A' ' 26' ' ' GLU . 12.8 mptt -58.06 -43.7 87.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.105 0.479 . . . . 99.99 110.419 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -17.22 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.543 -0.753 . . . . 99.99 110.803 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.1 tpp -93.78 -76.71 0.47 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.793 -0.64 . . . . 99.99 110.715 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.49 39.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.011 -0.614 . . . . 99.99 112.325 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 17.5 tp -117.74 133.43 23.32 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.547 0.213 . . . . 99.99 110.864 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -71.73 136.49 28.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.505 2.137 . . . . 99.99 112.47 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -51.59 -33.56 33.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.718 -0.674 . . . . 99.99 111.801 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -56.34 -47.74 78.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.723 0.297 . . . . 99.99 110.972 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.66 -36.97 76.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.401 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.0 mt -59.11 -48.58 86.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.885 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 23.2 mm-40 -57.23 -41.57 79.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.034 -0.53 . . . . 99.99 111.504 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -68.76 -31.73 70.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.371 . . . . 99.99 111.223 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.14 -49.33 12.92 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.931 -0.652 . . . . 99.99 112.819 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -65.49 -32.16 73.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.738 0.304 . . . . 99.99 111.166 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.51 -19.88 65.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 99.99 110.945 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.2 mt -114.07 127.07 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 99.99 111.225 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.85 124.96 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.596 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.8 158.94 53.36 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.738 -0.744 . . . . 99.99 112.566 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 t -122.26 133.4 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.556 0.217 . . . . 99.99 110.59 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.0 p -135.16 128.04 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.01 0.433 . . . . 99.99 111.905 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -134.98 132.19 38.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 99.99 109.677 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.6 mt -125.06 122.3 62.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.236 0.458 . . . . 99.99 112.236 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.23 114.58 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.898 -0.592 . . . . 99.99 110.048 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -103.98 118.79 37.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 99.99 111.5 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -136.53 103.91 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.935 -0.575 . . . . 99.99 110.521 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.97 -94.64 0.18 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 99.99 112.242 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -127.96 -17.64 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 99.99 110.678 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -91.3 112.98 25.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.504 . . . . 99.99 110.729 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.8 p -109.74 141.96 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 99.99 111.027 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HG2' ' HB3' ' A' ' 62' ' ' GLU . 59.9 mttp -116.29 123.76 48.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.294 -0.412 . . . . 99.99 110.839 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.9 tp -110.43 123.48 49.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.935 -0.575 . . . . 99.99 110.767 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.1 m -118.28 126.71 52.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.149 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.9 mm -130.56 125.92 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 99.99 110.057 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 91.5 m -105.3 128.09 53.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.049 0.452 . . . . 99.99 112.014 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.423 ' O ' ' HB3' ' A' ' 57' ' ' LYS . 34.0 m-85 -123.97 108.75 12.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.579 -0.737 . . . . 99.99 110.776 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.01 66.52 2.14 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.64 -0.791 . . . . 99.99 113.183 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 m 66.75 -0.03 1.74 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.781 0.659 . . . . 99.99 112.781 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 53' ' ' THR . 39.5 ttpt -96.64 136.17 37.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.753 0.311 . . . . 99.99 110.608 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.9 t -105.26 126.42 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.381 -0.372 . . . . 99.99 111.444 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.7 mt -116.86 116.18 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 99.99 110.481 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -118.25 140.29 50.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.349 -0.387 . . . . 99.99 111.742 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -158.64 119.32 3.31 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.074 -0.512 . . . . 99.99 111.089 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.519 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 10.1 pt-20 -106.08 140.58 38.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.37 -0.377 . . . . 99.99 110.482 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -148.83 152.3 36.26 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.03 0.443 . . . . 99.99 111.557 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -96.65 131.24 43.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.902 -0.59 . . . . 99.99 111.236 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.3 mt -52.92 134.14 37.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.729 -0.669 . . . . 99.99 110.98 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.31 44.07 98.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 99.99 112.389 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -153.12 148.93 27.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.719 0.295 . . . . 99.99 110.766 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -81.32 119.04 23.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 99.99 110.62 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.6 t -119.8 158.29 26.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 99.99 110.61 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG2' ' HE2' ' A' ' 78' ' ' LYS . 43.9 tt0 -95.18 119.07 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 99.99 111.052 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.06 145.91 46.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.711 -0.677 . . . . 99.99 110.301 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -85.49 148.0 26.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.763 0.316 . . . . 99.99 110.423 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.7 p -95.49 177.97 5.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 99.99 110.947 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.92 -12.82 57.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 99.99 110.57 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.6 p -103.46 -1.75 27.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.605 . . . . 99.99 111.194 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.13 3.37 79.34 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.697 -0.763 . . . . 99.99 112.159 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.98 136.11 37.12 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.768 0.318 . . . . 99.99 110.822 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.42 ' HE2' ' HG2' ' A' ' 70' ' ' GLU . 13.6 mmmm -85.42 124.49 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 99.99 111.304 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.3 m -129.8 164.46 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.937 -0.574 . . . . 99.99 110.944 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -107.03 131.88 53.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 99.99 111.453 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.88 142.0 27.16 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 99.99 111.795 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.0 t -103.91 120.12 53.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.044 -0.525 . . . . 99.99 110.885 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 t -100.24 117.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 99.99 110.203 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.618 ' HZ2' ' HB2' ' A' ' 84' ' ' LYS . 1.9 ttmp? -127.27 151.26 48.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 99.99 111.305 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.8 mtm -110.74 120.75 43.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 99.99 110.779 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.682 ' H ' ' HA ' ' A' ' 91' ' ' MET . 9.3 tp10 -72.07 -10.79 60.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.059 0.457 . . . . 99.99 110.384 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.81 -124.7 3.88 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.703 -0.68 . . . . 99.99 112.808 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 7.6 m-20 -98.59 127.55 44.56 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.811 0.339 . . . . 99.99 110.859 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 3.9 t-20 73.42 -10.1 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.328 -0.851 . . . . 99.99 111.889 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 128.74 38.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.085 0.469 . . . . 99.99 112.066 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.682 ' HA ' ' H ' ' A' ' 86' ' ' GLU . 61.7 mtt -141.1 135.48 30.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.582 -0.736 . . . . 99.99 110.104 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.4 117.95 56.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 120.949 0.404 . . . . 99.99 112.089 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.2 t -135.32 125.4 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 99.99 110.391 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.1 p -126.4 139.3 53.38 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.04 0.385 . . . . 99.99 112.04 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -138.73 133.54 32.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.01 -0.541 . . . . 99.99 110.666 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt 59.38 -88.6 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.233 -0.439 . . . . 99.99 111.05 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -149.72 3.66 0.62 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.018 -0.611 . . . . 99.99 111.906 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.1 mp -90.91 139.57 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.638 0.256 . . . . 99.99 110.756 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -95.35 120.08 34.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.405 -0.361 . . . . 99.99 110.666 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.6 t -121.54 120.88 36.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.044 -0.526 . . . . 99.99 111.156 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.5 t -120.35 122.76 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 99.99 110.205 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 87.2 m -112.22 125.52 54.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 99.99 111.844 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 33.3 mt-10 -96.48 128.35 43.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.966 -0.561 . . . . 99.99 109.851 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -109.21 116.52 32.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.163 0.506 . . . . 99.99 112.196 -178.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER -125.28 153.46 43.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.543 -0.753 . . . . 99.99 110.382 179.405 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.35 43.83 2.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.622 -0.799 . . . . 99.99 112.936 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -172.79 -41.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.732 0.301 . . . . 99.99 111.171 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 75.0 m -140.98 124.7 16.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 99.99 111.794 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.9 mp -106.6 121.34 59.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.145 -0.48 . . . . 99.99 110.463 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.1 m -115.15 139.62 49.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 99.99 111.482 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.546 ' ND2' ' HG3' ' A' ' 113' ' ' MET . 7.9 t30 -112.95 141.62 46.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 99.99 110.431 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.0 m -119.35 118.63 31.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.746 0.308 . . . . 99.99 111.799 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.553 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 60.8 mtt -124.27 121.33 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 99.99 110.264 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.7 m -126.57 122.28 34.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 99.99 111.445 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.8 tt -128.66 115.08 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.999 -0.546 . . . . 99.99 109.987 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.58 -73.45 1.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 99.99 112.194 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -164.1 16.93 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 99.99 110.643 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mt -105.28 137.58 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 99.99 110.74 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.6 p -104.8 137.38 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.293 0.568 . . . . 99.99 112.359 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.553 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 42.2 t80 -131.18 119.91 22.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.192 -0.913 . . . . 99.99 109.658 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.573 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 48.7 mttm -127.64 129.35 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 99.99 111.353 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -112.4 122.1 46.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 99.99 110.253 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.51 120.72 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 99.99 110.784 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 80.1 p -131.87 132.76 43.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 99.99 111.193 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.24 133.15 51.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.985 -0.552 . . . . 99.99 110.552 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -71.15 143.86 50.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.006 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.2 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 99.99 111.154 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtp . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 120.844 0.354 . . . . 99.99 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -95.25 110.43 22.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.103 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -149.63 108.18 3.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 99.99 110.603 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.5 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 42.0 t 68.59 139.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.865 -0.607 . . . . 99.99 111.353 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.58 156.43 13.27 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.777 -0.647 . . . . 99.99 112.224 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -97.02 130.6 44.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 99.99 110.922 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -134.83 145.38 48.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 99.99 110.919 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -120.99 128.3 52.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.155 -179.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 m -69.96 142.93 15.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.921 -0.4 . . . . 99.99 109.921 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -129.2 -15.52 4.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.136 0.421 . . . . 99.99 112.136 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -165.73 151.73 9.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.234 0.54 . . . . 99.99 112.209 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -145.35 144.64 30.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.257 -0.883 . . . . 99.99 110.071 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -106.13 139.2 41.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.625 0.25 . . . . 99.99 110.76 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.465 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 69.62 136.33 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.759 -179.493 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -145.92 -65.7 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 99.99 111.489 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 19' ' ' MET . 15.2 mm-40 -51.63 -50.13 78.96 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.631 0.604 . . . . 99.99 112.631 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 36.9 Cg_endo -67.29 -40.65 10.64 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 121.426 1.417 . . . . 99.99 112.075 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.465 ' HB2' ' OD1' ' A' ' 14' ' ' ASN . 65.3 t80 -60.1 -52.17 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 99.99 111.465 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.531 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.67 -43.65 92.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 99.99 111.773 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -58.49 -42.27 87.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.473 -0.33 . . . . 99.99 111.425 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.17 -22.26 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.375 . . . . 99.99 111.323 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.8 tpt -95.21 -73.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.034 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.98 18.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.893 -0.67 . . . . 99.99 112.24 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 19.0 tp -91.02 130.66 39.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.418 0.151 . . . . 99.99 110.66 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -72.26 132.42 19.37 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.587 2.191 . . . . 99.99 112.385 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 10.5 pt-20 -50.98 -26.74 6.4 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.968 -0.56 . . . . 99.99 111.914 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.99 -45.58 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.764 0.316 . . . . 99.99 111.041 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.95 -39.24 79.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 99.99 112.051 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 26' ' ' GLU . 2.7 mp -61.68 -46.34 96.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 111.761 0.282 . . . . 99.99 111.761 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 30.1 mm-40 -54.82 -43.58 73.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.845 0.355 . . . . 99.99 111.144 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -70.02 -32.1 70.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.359 . . . . 99.99 111.703 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.76 -31.6 32.32 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.796 -0.716 . . . . 99.99 114.085 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.653 ' HZ1' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -66.46 -29.74 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.168 0.484 . . . . 99.99 111.127 -179.22 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -83.22 -7.39 59.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.36 . . . . 99.99 110.755 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.5 mt -114.3 121.07 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.158 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -73.3 102.29 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 99.99 110.641 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.24 171.38 5.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.944 -0.646 . . . . 99.99 112.665 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 ' HA ' ' NE2' ' A' ' 8' ' ' GLN . 3.3 t -122.06 145.76 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.386 . . . . 99.99 111.254 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -134.33 129.56 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.975 -0.557 . . . . 99.99 110.654 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -131.03 124.78 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 99.99 110.574 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.8 mt -108.7 119.15 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 99.99 111.455 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 48.8 t -108.03 114.75 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.769 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.5 ' H ' ' HB2' ' A' ' 4' ' ' SER . 25.7 t-80 -103.19 116.1 31.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.483 -0.326 . . . . 99.99 110.805 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -138.19 101.44 4.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.315 -0.402 . . . . 99.99 111.465 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 46.17 69.22 0.86 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.101 -0.499 . . . . 99.99 113.663 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 68.44 -20.68 0.14 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.214 0.45 . . . . 99.99 112.214 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' A' ' 45' ' ' GLY . 50.5 mtmt -90.92 108.43 19.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 99.99 110.536 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.4 t -109.36 128.4 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.445 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -106.76 134.32 50.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.683 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' HB2' ' HE2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -106.1 125.15 50.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.588 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 71.7 m -120.69 127.43 52.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 99.99 111.266 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.2 mm -129.54 125.67 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 99.99 110.42 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.7 m -110.52 130.53 55.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.935 0.398 . . . . 99.99 111.881 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -121.5 109.2 14.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.908 -0.587 . . . . 99.99 110.606 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.25 -83.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 99.99 112.709 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.2 p -138.55 15.36 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.697 0.284 . . . . 99.99 111.141 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -111.8 135.5 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 99.99 110.941 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.2 t -109.55 126.68 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 99.99 110.592 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 51' ' ' THR . 50.5 mm -112.65 116.51 52.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 99.99 110.894 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -114.17 136.8 52.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 99.99 111.2 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -139.33 160.4 39.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.108 -0.496 . . . . 99.99 110.834 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -138.01 135.56 36.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.845 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.469 ' HE2' ' HB2' ' A' ' 50' ' ' LEU . 29.7 p90 -148.82 151.83 35.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.295 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 67' ' ' GLU . 24.7 m -107.26 127.87 53.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.026 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.48 136.7 58.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.236 -0.438 . . . . 99.99 110.816 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.529 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 62.77 34.86 90.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 99.99 112.31 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 39.0 tt0 -155.97 128.25 7.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 99.99 111.198 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 42.0 tt0 -74.44 119.19 18.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.776 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.2 t -119.12 157.56 27.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 99.99 110.667 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -95.72 120.27 35.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.071 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.2 tp -119.27 144.42 46.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 99.99 110.72 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -88.06 146.85 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.731 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -92.03 177.56 6.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.446 . . . . 99.99 110.308 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 49.0 ttp -66.38 -15.4 63.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.683 0.278 . . . . 99.99 111.043 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -93.33 -8.51 41.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.454 -0.339 . . . . 99.99 111.166 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.87 -5.08 63.63 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.698 -0.763 . . . . 99.99 112.894 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.48 140.31 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 99.99 111.104 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -91.45 119.29 31.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 99.99 110.805 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.11 148.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 99.99 111.088 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -95.9 133.66 39.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.305 -0.407 . . . . 99.99 110.827 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.75 142.48 27.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.539 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.523 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 4.5 p -114.49 118.81 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.951 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -109.1 122.52 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 99.99 111.056 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.529 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 39.7 mtmt -133.2 151.33 51.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 99.99 110.799 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.1 ptm -98.3 144.25 27.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 99.99 110.438 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -98.33 -12.23 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 99.99 110.83 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.39 -120.16 2.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 99.99 113.027 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -91.68 129.45 37.65 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.071 0.462 . . . . 99.99 110.981 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.603 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 1.8 p-10 51.39 12.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.151 -0.931 . . . . 99.99 112.868 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -137.8 125.6 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 99.99 112.092 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.4 mtt -141.39 133.59 27.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.532 -0.758 . . . . 99.99 110.004 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.5 t -112.17 118.15 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.988 0.423 . . . . 99.99 111.765 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.0 t -134.35 122.98 23.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 99.99 110.366 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.6 m -126.42 140.21 52.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 99.99 111.521 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -138.66 130.37 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 99.99 110.99 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp 60.16 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.083 -0.508 . . . . 99.99 111.525 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.14 15.58 0.88 Allowed Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.699 -0.762 . . . . 99.99 112.564 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 45.0 mm -104.45 138.04 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 99.99 110.881 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.65 118.25 32.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 99.99 110.425 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 112' ' ' THR . 57.9 m -122.14 120.98 35.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.282 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.0 t -124.03 121.95 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 99.99 110.64 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.418 ' HG1' ' H22' ' A' ' 129' ' ' OLA . 84.7 m -114.88 128.4 56.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.983 -0.553 . . . . 99.99 111.605 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 39.6 mt-10 -96.46 123.45 40.12 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.848 -0.427 . . . . 99.99 109.848 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.603 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -101.65 117.53 35.08 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.715 0.635 . . . . 99.99 112.715 -178.154 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -124.47 153.17 42.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.523 -0.762 . . . . 99.99 110.413 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.25 39.69 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 99.99 112.772 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -172.74 -29.75 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.67 0.235 . . . . 99.99 111.536 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.4 p -140.9 146.31 37.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.767 0.318 . . . . 99.99 111.583 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.9 mm -125.38 120.49 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.088 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.9 m -115.91 138.11 51.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.225 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.49 ' ND2' ' HG3' ' A' ' 113' ' ' MET . 9.2 t30 -121.93 138.67 54.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 99.99 110.586 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 100' ' ' SER . 2.9 m -120.1 120.53 36.51 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.93 0.345 . . . . 99.99 111.93 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.512 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 66.7 mtt -124.57 120.85 33.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 99.99 110.036 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.8 m -121.32 121.05 36.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.056 0.455 . . . . 99.99 111.644 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.2 115.88 7.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.744 -0.662 . . . . 99.99 110.462 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.26 47.57 83.45 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.608 -0.806 . . . . 99.99 112.744 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.8 t70 67.13 3.11 3.03 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.776 0.287 . . . . 99.99 111.776 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 29.1 mt -87.77 136.72 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 99.99 111.172 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.8 t -111.72 117.89 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.131 0.491 . . . . 99.99 111.848 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.512 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 21.7 t80 -116.79 118.05 31.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.573 -0.74 . . . . 99.99 109.241 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -129.26 124.34 34.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.691 0.281 . . . . 99.99 111.679 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -102.4 123.95 47.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.014 0.435 . . . . 99.99 111.067 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.46 120.6 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.717 -0.674 . . . . 99.99 110.376 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 17.3 m -129.71 144.97 51.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.965 0.412 . . . . 99.99 111.574 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -109.06 149.5 29.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.747 -0.66 . . . . 99.99 110.787 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -70.67 138.76 50.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 99.99 111.219 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 pt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 99.99 111.147 179.873 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' OLA . . . . . 0.418 ' H22' ' HG1' ' A' ' 102' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.807 0.337 . . . . 99.99 110.738 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.496 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -85.45 115.06 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 99.99 111.218 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -141.9 -46.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 99.99 110.882 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -99.88 134.66 42.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 99.99 111.003 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.32 168.04 28.9 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.789 -0.719 . . . . 99.99 112.589 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -110.83 128.68 55.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.35 . . . . 99.99 110.92 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -120.85 141.14 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.434 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 124' ' ' SER . 8.4 tp-100 -116.39 127.1 54.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.204 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.72 140.18 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 99.99 110.73 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -129.4 -17.97 3.67 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.452 -0.34 . . . . 99.99 111.819 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 t -167.67 161.4 13.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.988 0.423 . . . . 99.99 111.604 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.552 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 16.1 tm0? -146.01 154.62 42.08 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.879 -0.6 . . . . 99.99 110.703 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -109.01 129.74 55.46 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.643 0.258 . . . . 99.99 111.198 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.7 m120 66.05 117.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.321 -0.399 . . . . 99.99 111.162 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -121.75 -64.83 1.18 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.979 0.419 . . . . 99.99 111.436 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 34.7 mt-10 -55.27 -46.27 99.72 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 112.779 0.659 . . . . 99.99 112.779 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 61.6 Cg_exo -52.49 -41.26 68.82 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 121.646 1.564 . . . . 99.99 113.14 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.28 -52.23 66.45 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.556 0.576 . . . . 99.99 112.556 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.67 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 1.9 ppp? -59.82 -36.24 76.38 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.815 0.302 . . . . 99.99 111.815 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 63.8 mttm -61.17 -45.93 92.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.292 0.478 . . . . 99.99 112.292 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.77 -76.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.37 0.507 . . . . 99.99 112.37 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.3 tpp -44.79 -23.39 0.13 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.31 -0.859 . . . . 99.99 112.405 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.89 10.32 58.89 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.437 -0.887 . . . . 99.99 111.17 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.67 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 21.0 tp -74.51 147.1 84.56 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 91.5 Cg_endo -78.03 128.51 9.16 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.201 1.934 . . . . 99.99 112.097 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 39.9 tt0 -52.59 -25.99 12.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.361 -0.381 . . . . 99.99 110.984 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.07 -46.71 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.52 -0.309 . . . . 99.99 110.917 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.54 -41.03 89.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 99.99 111.229 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 19' ' ' MET . 7.7 mt -63.73 -46.29 94.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 99.99 110.996 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -63.72 -38.61 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 99.99 110.988 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -67.86 -31.68 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.728 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.16 -49.52 15.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.859 -0.686 . . . . 99.99 112.704 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -60.29 -29.18 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 99.99 111.072 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -68.84 -47.82 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 99.99 110.947 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.58 120.12 37.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.205 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -59.26 121.44 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.38 -0.373 . . . . 99.99 110.318 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.58 159.06 52.91 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.852 -0.689 . . . . 99.99 112.865 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 52' ' ' ILE . 21.2 t -122.81 136.52 59.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 99.99 110.485 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.1 p -135.3 130.91 35.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.956 0.408 . . . . 99.99 111.442 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -134.75 126.31 28.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 99.99 110.421 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.9 mt -113.09 125.21 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 99.99 111.817 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -106.51 114.73 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.724 -0.671 . . . . 99.99 109.445 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -101.44 116.76 33.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.091 0.472 . . . . 99.99 111.842 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.6 101.72 4.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.766 -0.652 . . . . 99.99 110.065 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.41 -102.24 0.25 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.725 -0.75 . . . . 99.99 112.076 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -118.01 -9.07 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 99.99 110.431 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -95.59 111.12 23.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.965 -0.561 . . . . 99.99 110.723 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -115.28 133.58 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.107 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HD3' ' HE2' ' A' ' 60' ' ' HIS . 64.2 mttp -112.13 133.22 54.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 99.99 110.936 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tt -115.69 126.68 54.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 99.99 110.54 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -118.95 127.44 53.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 99.99 111.549 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 45.1 mm -126.45 133.13 69.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.508 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.4 m -118.02 130.72 56.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 99.99 111.563 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.504 ' HB3' ' H52' ' A' ' 128' ' ' OLA . 56.1 m-85 -121.22 108.48 13.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.913 -0.585 . . . . 99.99 110.543 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.53 -84.22 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 99.99 112.614 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.6 p -139.99 14.97 2.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.758 0.313 . . . . 99.99 111.118 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' HZ1' ' HB2' ' A' ' 57' ' ' LYS . 3.5 ttmp? -109.77 130.45 55.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.434 -0.348 . . . . 99.99 110.939 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 p -98.89 131.58 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 99.99 110.786 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.4 mt -120.7 115.97 48.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 99.99 110.578 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.515 ' HE2' ' HD3' ' A' ' 49' ' ' LYS . 55.5 t-80 -113.18 128.5 56.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.22 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -135.38 161.27 35.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.149 -0.478 . . . . 99.99 110.998 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.63 139.88 28.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 99.99 110.369 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -148.28 151.76 35.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.01 0.433 . . . . 99.99 111.409 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.4 m -102.76 130.64 49.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.907 -0.588 . . . . 99.99 110.989 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.427 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 38.7 mt -70.06 136.91 50.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 99.99 111.212 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.67 15.1 79.43 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.981 -0.628 . . . . 99.99 113.15 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -146.71 145.71 30.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.983 0.42 . . . . 99.99 111.381 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -76.62 119.99 21.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.865 -0.607 . . . . 99.99 110.387 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.4 m -118.64 151.04 38.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 99.99 111.044 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -98.77 119.84 38.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 99.99 110.921 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 tp -119.95 146.49 45.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 99.99 110.798 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -85.16 125.15 32.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.493 . . . . 99.99 110.99 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.5 p -75.03 170.61 15.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 99.99 111.207 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -13.11 61.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 99.99 110.84 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.2 p -92.82 -21.31 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.088 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.3 6.83 35.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.873 -0.68 . . . . 99.99 112.219 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -90.28 141.31 28.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 99.99 110.736 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -86.82 121.25 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.844 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.6 m -125.51 150.22 30.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.182 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -113.53 132.68 55.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 99.99 110.45 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.17 143.24 29.15 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.052 0.39 . . . . 99.99 112.052 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.42 117.99 44.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.897 -0.592 . . . . 99.99 110.883 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 3.2 p -109.48 119.5 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 99.99 111.219 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.434 ' NZ ' ' HB3' ' A' ' 84' ' ' LYS . 9.8 mtpm? -118.04 151.5 37.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.23 -0.441 . . . . 99.99 110.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 17.9 ptt? -115.48 139.28 50.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.33 -0.396 . . . . 99.99 110.992 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -105.73 -15.69 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.524 . . . . 99.99 110.183 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.73 18.46 56.61 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.51 -0.768 . . . . 99.99 112.823 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -150.28 75.24 1.23 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.277 . . . . 99.99 111.603 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.577 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 2.3 m-80 53.73 15.51 0.81 Allowed 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.673 0.62 . . . . 99.99 112.673 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -134.95 130.57 36.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.431 0.634 . . . . 99.99 112.545 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.589 ' HB2' ' HB ' ' A' ' 102' ' ' THR . 96.8 mmm -141.45 124.09 15.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.984 -1.007 . . . . 99.99 109.435 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.0 118.81 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.049 0.452 . . . . 99.99 112.182 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 t -134.19 119.6 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 99.99 110.349 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 83.2 m -119.48 128.34 53.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.558 -0.292 . . . . 99.99 111.432 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -135.82 131.31 35.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.973 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 59.41 -85.71 0.02 OUTLIER 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.965 -0.561 . . . . 99.99 111.35 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.67 1.38 0.34 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.853 -0.689 . . . . 99.99 112.387 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.19 136.86 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.642 0.258 . . . . 99.99 110.824 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -97.4 120.4 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 99.99 110.806 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 112' ' ' THR . 70.7 m -121.94 121.25 36.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.139 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 t -120.11 122.6 68.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.09 -0.504 . . . . 99.99 110.486 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 91' ' ' MET . 86.5 m -114.34 128.79 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.422 -0.354 . . . . 99.99 111.812 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 32.6 tt0 -96.5 120.32 36.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.417 -0.586 . . . . 99.99 109.417 178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.577 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -94.92 116.47 28.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.338 0.589 . . . . 99.99 112.533 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 108' ' ' THR . 6.9 m120 -125.43 153.07 44.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.507 -0.769 . . . . 99.99 110.328 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.35 23.47 6.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.46 -0.876 . . . . 99.99 112.045 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -146.27 -45.07 0.19 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.614 0.245 . . . . 99.99 111.416 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 26.7 m -140.53 126.62 19.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.821 0.343 . . . . 99.99 111.496 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.25 120.83 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 99.99 110.628 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.9 m -115.91 139.81 49.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.058 -0.519 . . . . 99.99 111.649 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.639 ' HB3' ' HG2' ' A' ' 122' ' ' ARG . 2.7 t-20 -124.06 141.94 51.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.692 0.282 . . . . 99.99 110.791 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 100' ' ' SER . 5.5 m -117.64 123.28 45.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.322 -0.399 . . . . 99.99 111.724 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.455 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 88.8 mtp -124.71 120.74 32.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.099 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 37.4 m -113.55 121.51 44.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.379 . . . . 99.99 111.832 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -144.71 115.86 7.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 99.99 110.135 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.65 43.76 95.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.518 -0.849 . . . . 99.99 112.29 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 67.44 3.24 3.23 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.387 0.275 . . . . 99.99 111.644 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.2 mt -88.78 137.82 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 99.99 111.308 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.1 t -107.53 116.64 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.176 0.513 . . . . 99.99 111.307 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.455 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 36.0 t80 -113.39 118.61 35.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.844 -0.798 . . . . 99.99 108.844 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.552 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 23.7 ttmm -128.08 129.48 46.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.549 -0.296 . . . . 99.99 111.547 -178.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.639 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 12.0 ptp180 -107.34 133.77 51.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.917 0.389 . . . . 99.99 110.962 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.67 119.84 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 99.99 110.7 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 80.4 p -131.57 141.38 49.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.438 -0.347 . . . . 99.99 111.247 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' A' ' 125' ' ' LYS . 13.0 ptmm? -105.77 148.77 27.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.723 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -84.75 126.43 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.174 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.4 pt . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.013 -0.54 . . . . 99.99 111.085 179.799 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' OLA . . . . . 0.504 ' H52' ' HB3' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.858 0.361 . . . . 99.99 110.81 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 4' ' ' SER . 3.4 m-20 -109.63 127.01 54.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.015 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 72.81 -34.44 0.3 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.89 -0.595 . . . . 99.99 112.188 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' A' ' 43' ' ' HIS . 38.7 t 56.41 94.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.931 0.396 . . . . 99.99 110.424 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.52 177.32 40.84 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.689 -0.767 . . . . 99.99 112.652 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -108.55 129.86 55.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.958 0.409 . . . . 99.99 111.496 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -118.01 150.02 39.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.836 -0.62 . . . . 99.99 110.125 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.5 128.12 54.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.012 0.375 . . . . 99.99 112.012 -178.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.73 117.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.918 -0.583 . . . . 99.99 110.163 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -93.05 -34.96 13.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.1 0.408 . . . . 99.99 112.1 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.1 p -165.56 168.53 16.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 99.99 111.56 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.515 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 17.7 tm0? -143.51 140.74 30.44 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.873 -0.603 . . . . 99.99 110.573 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.94 131.66 40.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.518 -0.31 . . . . 99.99 111.441 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 63.5 98.09 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.897 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.46 -55.6 2.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.139 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.539 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 44.1 mt-10 -50.85 -50.0 76.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.299 0.481 . . . . 99.99 112.299 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 27.3 Cg_endo -62.8 -40.3 36.9 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 121.918 1.745 . . . . 99.99 112.995 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -67.7 -52.1 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.997 0.427 . . . . 99.99 111.56 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.596 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.72 -43.97 97.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.901 -0.59 . . . . 99.99 112.299 -178.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' N ' ' SD ' ' A' ' 19' ' ' MET . 13.5 tttm -70.55 -38.41 74.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.271 -0.422 . . . . 99.99 111.742 -178.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -9.21 19.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 99.99 110.836 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.5 tpt -104.39 -67.7 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 99.99 110.812 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.75 6.66 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.948 -0.644 . . . . 99.99 112.25 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 18.6 tp -83.41 129.22 61.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 110.575 -0.157 . . . . 99.99 110.575 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.11 129.29 12.11 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.429 2.086 . . . . 99.99 112.163 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -48.88 -25.74 2.07 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.127 -0.488 . . . . 99.99 112.018 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.61 -47.56 83.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.8 0.334 . . . . 99.99 110.741 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.48 -37.88 77.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.647 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -62.28 -43.21 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.616 -0.266 . . . . 99.99 111.275 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -60.64 -46.6 89.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 99.99 111.412 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.81 -31.39 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 99.99 111.471 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.48 -34.97 30.51 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.841 -0.695 . . . . 99.99 113.431 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.94 -25.09 61.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.908 0.354 . . . . 99.99 111.057 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.67 -29.99 71.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 99.99 110.806 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.3 mt -102.45 122.67 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.961 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -59.34 122.26 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 99.99 110.871 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.59 159.33 34.7 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.821 -0.704 . . . . 99.99 112.519 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 52' ' ' ILE . 21.9 t -122.34 133.72 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.715 0.293 . . . . 99.99 110.765 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 m -135.19 135.95 41.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.353 -0.385 . . . . 99.99 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -134.86 129.65 34.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 99.99 110.795 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mm -110.74 118.65 57.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.905 0.383 . . . . 99.99 111.359 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 49' ' ' LYS . 46.9 t -107.85 123.09 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.691 -0.686 . . . . 99.99 110.227 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.456 ' HB3' ' HB2' ' A' ' 4' ' ' SER . 15.2 t-80 -107.56 116.18 31.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 99.99 111.62 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -137.62 102.01 4.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.984 -0.553 . . . . 99.99 110.33 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.58 -105.3 0.79 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.643 -0.789 . . . . 99.99 111.996 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HG3' ' HD3' ' A' ' 47' ' ' LYS . 16.1 ptpt -118.78 -8.15 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 99.99 110.465 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -96.56 116.29 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 99.99 110.437 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.1 p -105.39 136.81 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.086 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.666 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 7.6 mtpm? -109.32 123.61 49.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.654 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.9 123.48 50.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 99.99 110.444 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.5 m -125.34 127.13 46.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.317 -0.401 . . . . 99.99 111.241 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 58.3 mt -128.9 123.99 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.848 -0.615 . . . . 99.99 110.154 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.5 m -111.46 129.89 55.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.002 0.429 . . . . 99.99 111.777 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.577 ' HB3' ' H52' ' A' ' 128' ' ' OLA . 41.4 m-85 -121.57 109.15 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.721 -0.672 . . . . 99.99 110.772 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.37 -83.86 0.13 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.794 -0.717 . . . . 99.99 112.732 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.4 t -138.96 16.48 2.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.33 . . . . 99.99 111.139 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -115.35 133.0 56.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 99.99 110.907 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.8 t -109.33 126.51 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 99.99 110.636 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.2 mm -113.08 116.51 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.968 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -112.84 131.98 55.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.348 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 71' ' ' LEU . 19.6 m120 -152.46 122.58 7.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 99.99 110.705 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -115.38 143.33 45.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 99.99 110.706 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.1 150.8 35.74 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.085 0.469 . . . . 99.99 111.27 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 46.0 m -97.37 131.09 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 99.99 111.227 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -57.5 140.44 50.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 99.99 110.913 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.487 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 60.32 48.5 85.84 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.849 -0.691 . . . . 99.99 112.678 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -167.21 143.87 4.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.804 0.335 . . . . 99.99 111.096 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.9 119.76 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.925 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.7 m -118.54 157.4 27.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.416 . . . . 99.99 110.729 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -116.64 119.93 37.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 99.99 111.161 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.417 ' HB2' ' ND2' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -120.06 145.76 46.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.037 -0.529 . . . . 99.99 110.859 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.41 127.78 34.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.772 -0.649 . . . . 99.99 110.743 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.521 ' HA ' H183 ' A' ' 128' ' ' OLA . 59.0 p -84.88 178.05 7.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.042 -0.526 . . . . 99.99 111.168 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -62.98 -37.21 86.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.51 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.4 p -64.77 -18.27 64.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.025 -0.534 . . . . 99.99 110.974 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.49 -3.96 61.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.958 -0.639 . . . . 99.99 111.94 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.13 143.55 33.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 99.99 110.827 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -92.5 119.39 31.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 99.99 110.964 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.73 139.09 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 99.99 111.457 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -107.87 132.85 53.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.876 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.67 146.98 30.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.395 . . . . 99.99 111.953 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.33 119.71 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.942 -0.572 . . . . 99.99 110.533 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 p -108.97 122.52 63.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.185 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.487 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 42.3 mtpt -134.52 151.21 50.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.461 . . . . 99.99 110.691 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 ptm -101.37 135.79 42.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 99.99 110.742 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -89.89 -15.47 32.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.964 0.412 . . . . 99.99 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.83 -118.74 2.13 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.734 -0.746 . . . . 99.99 113.085 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 8.7 m-20 -103.39 123.2 46.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.032 0.444 . . . . 99.99 111.47 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.491 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 28.7 m-80 73.17 -3.54 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.11 -0.95 . . . . 99.99 112.505 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.74 130.11 45.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.587 . . . . 99.99 112.316 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 23.8 mmt -140.45 136.74 33.32 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.203 -0.908 . . . . 99.99 109.519 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.96 119.71 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.2 0.524 . . . . 99.99 112.278 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.6 t -133.83 132.8 40.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 99.99 110.51 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.5 m -121.49 126.39 49.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.648 0.261 . . . . 99.99 111.472 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -138.64 136.68 36.15 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.051 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 52.82 -94.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.086 -0.506 . . . . 99.99 111.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.61 -6.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.97 -0.634 . . . . 99.99 112.133 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 82.4 mt -89.69 137.77 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 99.99 110.665 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -97.13 127.03 42.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 99.99 110.944 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 112' ' ' THR . 39.6 t -121.7 120.48 34.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 99.99 111.096 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.0 t -116.2 122.97 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 99.99 109.832 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.2 m -113.62 128.14 56.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.963 0.411 . . . . 99.99 112.077 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 35.4 tt0 -96.15 122.95 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.738 -0.838 . . . . 99.99 108.738 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -105.9 117.03 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.168 0.509 . . . . 99.99 112.344 -178.312 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -125.85 153.73 43.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.825 -0.625 . . . . 99.99 110.241 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.39 40.27 1.74 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.614 -0.803 . . . . 99.99 112.877 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.35 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.66 0.266 . . . . 99.99 111.357 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.5 p -141.2 145.73 36.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.817 0.342 . . . . 99.99 111.585 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.1 mt -124.2 123.25 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 99.99 110.74 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 m -112.93 139.0 48.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.072 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -121.49 135.08 55.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.408 . . . . 99.99 110.794 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -119.53 117.5 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 99.99 111.526 -179.579 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.556 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 64.0 mtt -123.64 120.6 33.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 99.99 109.833 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 97.6 m -121.42 121.93 38.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.863 0.363 . . . . 99.99 111.395 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.51 116.38 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 99.99 110.468 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.72 -77.16 0.95 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.632 -0.794 . . . . 99.99 111.734 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -155.85 4.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 99.99 111.09 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.3 mm -89.29 137.47 21.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 111.893 0.331 . . . . 99.99 111.893 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -105.52 120.45 56.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 99.99 111.001 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.556 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 45.5 t80 -114.12 119.34 36.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 99.99 110.755 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.515 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 40.3 ttpt -129.4 123.99 33.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 99.99 110.943 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -108.21 129.42 55.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.392 . . . . 99.99 111.023 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.69 119.81 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 99.99 110.431 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 148.54 52.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 99.99 111.385 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -128.46 146.07 50.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.929 -0.578 . . . . 99.99 110.709 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -72.14 135.26 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 99.99 111.056 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 30.4 pt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.041 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' OLA . . . . . 0.577 ' H52' ' HB3' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.732 0.301 . . . . 99.99 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -82.33 115.35 21.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.919 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -143.72 -41.44 0.28 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.233 -0.44 . . . . 99.99 110.912 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 t -102.02 136.35 42.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 99.99 111.127 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.46 151.7 9.1 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.933 -0.651 . . . . 99.99 112.253 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -94.54 118.86 32.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 99.99 111.077 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -117.14 146.82 42.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.916 -0.584 . . . . 99.99 110.248 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -122.38 128.25 50.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.861 0.363 . . . . 99.99 111.866 -178.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.2 t -70.76 127.87 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.945 -0.57 . . . . 99.99 109.995 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -104.45 -30.38 10.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.132 0.419 . . . . 99.99 112.132 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.1 p -166.38 164.04 17.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.202 0.525 . . . . 99.99 111.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -145.58 147.62 32.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.464 -0.789 . . . . 99.99 110.228 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -97.58 127.39 43.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.555 -0.293 . . . . 99.99 110.747 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 67.81 145.48 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.331 -0.395 . . . . 99.99 111.002 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -146.71 -57.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.056 0.455 . . . . 99.99 111.347 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.477 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 42.3 mt-10 -54.21 -50.09 86.6 Favored Pre-proline 0 CA--C 1.535 0.373 0 N-CA-C 112.767 0.655 . . . . 99.99 112.767 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 51.3 Cg_endo -68.19 -42.5 5.72 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.608 1.539 . . . . 99.99 113.62 -178.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.18 -51.81 61.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.906 0.384 . . . . 99.99 111.173 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.588 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 26.5 mmt -63.72 -43.09 97.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.931 -0.577 . . . . 99.99 111.657 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -59.2 -41.63 88.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.749 0.309 . . . . 99.99 110.687 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.39 -22.23 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 99.99 110.319 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.0 tpt -89.6 -75.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.779 -0.646 . . . . 99.99 110.596 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.02 39.19 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.835 -0.62 . . . . 99.99 112.302 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.588 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 14.2 tp -115.64 134.82 22.61 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.48 0.181 . . . . 99.99 110.87 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.93 135.64 21.57 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.632 2.222 . . . . 99.99 112.906 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 45.1 mt-10 -52.07 -33.45 39.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 99.99 111.816 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.11 -48.58 79.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.663 0.268 . . . . 99.99 111.222 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' HG ' ' H32' ' A' ' 128' ' ' OLA . 11.1 mp -70.62 -37.38 73.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.293 -0.412 . . . . 99.99 111.387 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.9 mt -60.67 -46.78 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 99.99 112.192 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 29.9 mm-40 -60.4 -42.39 95.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.741 0.305 . . . . 99.99 111.178 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -69.28 -32.37 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 99.99 111.21 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.46 -47.22 22.78 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.849 -0.691 . . . . 99.99 112.932 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -61.75 -31.34 71.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.763 0.316 . . . . 99.99 111.102 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.81 -21.01 65.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 99.99 110.669 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -111.87 123.5 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 99.99 111.015 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -59.66 114.62 2.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.644 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.76 156.21 13.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.717 . . . . 99.99 112.731 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.42 ' HA ' ' NE2' ' A' ' 8' ' ' GLN . 20.6 t -122.2 133.05 69.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.699 0.285 . . . . 99.99 110.714 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 m -136.07 134.62 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.935 0.397 . . . . 99.99 111.408 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -134.86 134.85 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.129 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mt -123.16 119.09 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.986 0.422 . . . . 99.99 112.127 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -108.03 114.3 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 99.99 109.562 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -115.98 116.61 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.026 0.441 . . . . 99.99 111.822 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -137.82 102.0 4.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.855 -0.611 . . . . 99.99 110.909 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 64.72 57.59 12.12 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.887 -0.673 . . . . 99.99 113.006 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 mttp 66.78 -8.96 0.37 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.808 0.299 . . . . 99.99 111.808 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 45' ' ' GLY . 79.3 tttt -91.01 108.54 19.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.02 -0.363 . . . . 99.99 110.02 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -107.39 142.31 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.419 0.526 . . . . 99.99 112.419 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -126.76 123.97 38.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.519 -0.764 . . . . 99.99 109.595 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -111.35 130.45 55.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.911 0.386 . . . . 99.99 111.221 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.0 m -122.44 126.78 48.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.982 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.5 mt -127.38 126.51 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.59 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.9 m -117.12 131.03 56.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 99.99 111.796 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -120.86 109.12 14.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.904 -0.589 . . . . 99.99 110.559 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.85 -84.74 0.11 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.699 -0.763 . . . . 99.99 112.65 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -137.19 19.14 2.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.782 0.325 . . . . 99.99 111.107 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -115.23 123.76 49.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 99.99 111.147 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.1 t -99.63 126.79 52.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 99.99 110.733 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.8 mm -116.25 117.78 56.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 99.99 111.049 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -106.37 140.01 39.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.003 -0.544 . . . . 99.99 111.262 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -147.63 156.68 43.04 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.244 -0.435 . . . . 99.99 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -145.61 130.29 18.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.25 -0.432 . . . . 99.99 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.13 152.72 51.96 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.035 0.445 . . . . 99.99 111.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.5 m -111.66 116.07 30.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.831 -0.622 . . . . 99.99 109.441 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 pp -48.26 146.35 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.973 0.416 . . . . 99.99 111.736 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 56.15 26.9 50.84 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.897 -0.592 . . . . 99.99 112.97 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -143.89 148.09 34.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.78 0.324 . . . . 99.99 110.968 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -88.45 124.28 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.84 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.2 p -125.6 157.71 36.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 99.99 111.009 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.59 127.37 41.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 99.99 110.809 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.01 142.99 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.285 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.02 126.33 34.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.575 -0.738 . . . . 99.99 110.726 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.6 p -80.46 175.93 10.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.188 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -69.82 -26.01 64.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 99.99 110.893 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.7 p -83.36 -45.23 13.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 99.99 111.252 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.61 0.58 3.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.866 -0.683 . . . . 99.99 112.19 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -79.89 142.03 35.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 99.99 111.08 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.6 119.52 29.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 99.99 110.778 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.3 m -116.7 150.72 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 99.99 111.273 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -105.55 128.86 53.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 99.99 110.597 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.39 142.35 28.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 99.99 111.934 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.6 120.95 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 99.99 110.784 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.429 ' HA ' ' HB ' ' A' ' 93' ' ' THR . 7.4 p -97.15 122.06 48.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 99.99 110.129 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -128.99 140.23 51.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.808 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.86 140.25 34.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 99.99 110.62 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -90.91 -10.18 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 99.99 110.795 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.96 -109.14 0.72 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.82 -0.705 . . . . 99.99 112.963 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.69 122.69 48.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.955 0.407 . . . . 99.99 111.382 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 59.4 t30 74.15 -5.01 2.15 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.374 -0.83 . . . . 99.99 112.185 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.95 131.4 45.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.232 0.539 . . . . 99.99 112.056 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.2 ttm -141.71 130.44 22.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.395 -0.82 . . . . 99.99 109.83 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.66 118.69 59.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.19 0.519 . . . . 99.99 111.97 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 83' ' ' VAL . 1.2 t -134.39 142.06 47.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.679 -0.691 . . . . 99.99 110.654 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.7 p -126.56 129.46 48.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.681 -0.236 . . . . 99.99 111.471 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -139.21 126.64 21.61 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.821 0.343 . . . . 99.99 111.828 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt 57.94 21.01 7.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.079 -0.509 . . . . 99.99 111.747 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 91.48 -5.36 80.42 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.647 -0.787 . . . . 99.99 112.648 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 mp -89.72 138.28 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.994 -0.373 . . . . 99.99 109.994 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -96.82 122.6 39.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.047 0.451 . . . . 99.99 111.248 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 112' ' ' THR . 4.6 p -121.62 120.12 33.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.52 -0.764 . . . . 99.99 109.879 178.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.8 t -112.78 122.46 66.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.423 . . . . 99.99 110.921 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.0 m -114.5 129.97 56.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.974 -0.557 . . . . 99.99 111.657 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -96.09 127.85 42.46 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.084 -0.507 . . . . 99.99 109.642 178.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.505 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.78 115.74 30.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.223 0.535 . . . . 99.99 112.165 -178.811 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' A' ' 107' ' ' ASP . 12.7 m120 -126.29 154.43 43.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.687 -0.688 . . . . 99.99 109.998 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.96 24.51 0.42 Allowed Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.528 -0.844 . . . . 99.99 112.908 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 105' ' ' ASN . 2.8 p30 -166.72 -21.63 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.951 0.375 . . . . 99.99 111.937 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 12.5 t -141.0 146.1 36.81 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.656 0.613 . . . . 99.99 112.656 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.38 123.39 32.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.642 -0.708 . . . . 99.99 110.5 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.3 m -115.27 139.63 49.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 99.99 111.321 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.44 ' ND2' ' H21' ' A' ' 129' ' ' OLA . 17.5 t-20 -115.49 132.85 56.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 99.99 110.958 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.545 ' O ' ' HA ' ' A' ' 100' ' ' SER . 2.9 m -120.04 118.96 32.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.295 -0.411 . . . . 99.99 111.156 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.402 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 67.0 mtt -123.26 121.68 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.753 0.311 . . . . 99.99 110.504 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 35.4 m -114.53 122.87 47.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.916 0.388 . . . . 99.99 111.627 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.75 115.56 17.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.975 -0.557 . . . . 99.99 109.896 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.59 -85.26 0.11 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 99.99 112.155 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -148.72 20.78 1.02 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.359 . . . . 99.99 110.494 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.1 mt -106.48 137.72 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 99.99 111.326 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.8 t -105.45 123.7 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.107 0.48 . . . . 99.99 111.438 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.402 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 29.5 t80 -118.3 118.8 32.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.688 -0.687 . . . . 99.99 109.784 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -128.56 123.46 33.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.808 0.337 . . . . 99.99 111.279 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.48 125.95 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 99.99 111.182 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.99 118.73 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.94 -0.573 . . . . 99.99 110.682 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 90.9 p -134.28 139.88 46.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.884 0.373 . . . . 99.99 111.086 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.38 149.01 42.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 99.99 110.809 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -72.26 120.38 17.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 99.99 110.994 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.031 -0.531 . . . . 99.99 111.126 179.809 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' OLA . . . . . 0.425 ' H32' ' HG ' ' A' ' 28' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' OLA . . . . . 0.44 ' H21' ' ND2' ' A' ' 111' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.787 0.327 . . . . 99.99 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -101.07 130.86 47.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 99.99 110.969 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -140.23 -37.31 0.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.414 . . . . 99.99 111.062 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.4 p -82.23 138.88 34.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 99.99 111.047 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.02 156.62 8.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.837 -0.697 . . . . 99.99 112.313 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.646 ' HB3' ' HZ1' ' A' ' 6' ' ' LYS . 6.1 ttpm? -105.77 129.75 53.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 99.99 110.715 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 5.7 m-85 -135.53 125.27 25.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 99.99 110.448 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -102.07 140.47 36.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.136 0.494 . . . . 99.99 110.056 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.414 ' HB ' ' H ' ' A' ' 37' ' ' GLY . 64.6 t -68.32 143.97 14.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.541 -0.299 . . . . 99.99 110.469 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -115.91 -55.15 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.359 . . . . 99.99 111.891 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.6 t -148.95 168.68 22.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.132 0.491 . . . . 99.99 111.619 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -141.26 137.39 32.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.68 -0.691 . . . . 99.99 110.732 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 121' ' ' LYS . 12.0 pt-20 -103.91 140.64 37.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.384 -0.371 . . . . 99.99 110.839 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.34 78.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.5 -0.318 . . . . 99.99 110.651 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.56 -39.01 5.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.275 -0.42 . . . . 99.99 110.83 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' A' ' 19' ' ' MET . 43.2 mt-10 -51.14 -46.85 88.76 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.108 -0.497 . . . . 99.99 111.799 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 57.7 Cg_endo -71.81 -34.09 9.27 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.579 1.519 . . . . 99.99 111.504 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.7 -52.03 66.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.639 -0.71 . . . . 99.99 110.941 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.713 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.92 -37.12 75.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 99.99 111.033 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG3' ' HE1' ' A' ' 19' ' ' MET . 65.0 mttm -64.34 -44.04 92.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 99.99 111.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.41 -69.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 99.99 111.599 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.9 tpt -50.35 -25.92 4.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.664 . . . . 99.99 111.715 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.38 8.02 47.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.638 -0.792 . . . . 99.99 111.891 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.713 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 2.8 tp -75.32 142.57 75.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.364 . . . . 99.99 110.362 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.626 ' HG2' ' HB2' ' A' ' 28' ' ' LEU . 67.8 Cg_endo -78.45 132.06 10.93 Favored 'Trans proline' 0 N--CA 1.474 0.345 0 C-N-CA 123.242 2.628 . . . . 99.99 113.114 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.615 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 12.9 pt-20 -54.32 -28.08 40.14 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.429 -0.351 . . . . 99.99 110.506 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.0 -47.17 83.81 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.241 -0.436 . . . . 99.99 110.325 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.626 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 3.4 mm? -63.22 -35.9 81.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.132 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.412 ' HB ' ' O ' ' A' ' 26' ' ' GLU . 13.0 mt -57.52 -48.4 83.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.994 -0.548 . . . . 99.99 110.727 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -58.89 -43.92 91.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.156 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -69.35 -31.57 70.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 99.99 111.572 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.32 -23.83 46.27 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.818 -0.706 . . . . 99.99 113.728 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -77.48 -34.6 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.248 0.524 . . . . 99.99 111.613 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.1 -14.04 56.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.538 -0.301 . . . . 99.99 111.415 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.8 mm -114.04 136.94 48.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 99.99 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -78.33 145.69 35.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 99.99 109.988 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.565 ' O ' ' HB2' ' A' ' 8' ' ' GLN . . . -95.61 171.97 29.59 Favored Glycine 0 C--O 1.223 -0.589 0 C-N-CA 120.308 -0.948 . . . . 99.99 111.306 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 t -134.96 132.2 53.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 117.336 0.568 . . . . 99.99 110.969 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 t -136.35 140.25 43.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.546 . . . . 99.99 110.869 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -135.32 126.73 28.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.087 -0.506 . . . . 99.99 110.124 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mt -112.54 119.49 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 99.99 111.791 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.24 114.24 45.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 99.99 109.93 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -98.99 115.69 29.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.102 0.477 . . . . 99.99 111.45 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -137.51 101.44 4.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 99.99 110.515 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.85 -117.73 8.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.718 -0.753 . . . . 99.99 112.375 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -105.8 -12.23 15.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.306 . . . . 99.99 110.933 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -100.86 130.61 46.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.931 0.396 . . . . 99.99 110.948 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.99 126.36 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 99.99 111.094 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -94.43 123.89 38.12 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.598 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.5 tp -114.63 123.8 50.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 99.99 110.913 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 62.7 m -125.33 126.96 45.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.266 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.65 129.03 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 99.99 110.243 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.4 m -118.92 130.3 55.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.029 0.442 . . . . 99.99 111.9 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -121.47 109.18 14.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.736 -0.665 . . . . 99.99 110.378 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.68 -82.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.674 -0.774 . . . . 99.99 112.31 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 t -142.69 16.22 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 99.99 111.324 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -108.19 127.84 54.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 99.99 110.792 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.8 t -99.3 126.32 52.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 99.99 110.97 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 51' ' ' THR . 49.6 mm -113.85 116.23 52.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.985 -0.552 . . . . 99.99 110.565 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -116.42 135.44 53.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.316 -0.402 . . . . 99.99 111.229 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -148.28 161.64 41.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 99.99 110.83 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -144.96 139.0 27.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.242 -0.435 . . . . 99.99 110.669 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -148.44 151.4 35.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.958 0.409 . . . . 99.99 111.731 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.0 m -99.76 131.15 45.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.814 -0.63 . . . . 99.99 110.831 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.12 119.25 16.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 99.99 110.97 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.76 -10.66 62.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.874 -0.679 . . . . 99.99 112.679 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -123.19 157.83 32.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 99.99 110.961 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 36.4 tt0 -86.84 119.2 26.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 99.99 110.619 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.5 t -111.58 157.21 20.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 99.99 110.609 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -98.49 120.55 39.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 99.99 110.876 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -116.46 134.16 55.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.136 0.493 . . . . 99.99 110.953 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 78' ' ' LYS . 6.1 tt0 -85.66 124.28 32.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.717 -0.674 . . . . 99.99 110.483 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -73.47 170.87 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 99.99 111.257 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.0 ttt -60.87 -32.2 71.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 99.99 110.895 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.0 p -62.55 -45.58 92.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 99.99 111.084 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.84 -13.42 4.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.988 -0.625 . . . . 99.99 111.896 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -89.28 124.99 34.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.785 0.326 . . . . 99.99 110.759 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -84.79 141.29 30.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.363 179.632 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.3 m -129.87 159.86 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 99.99 111.033 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -94.38 128.79 41.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.09 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -144.71 141.89 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.853 -0.612 . . . . 99.99 110.892 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 5.3 p -114.02 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.085 0.469 . . . . 99.99 111.219 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.23 122.88 64.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.77 -0.65 . . . . 99.99 110.619 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -130.17 151.71 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.01 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.28 143.39 26.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 99.99 110.359 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -101.33 -21.08 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 99.99 111.191 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.24 -103.7 0.34 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.383 -0.913 . . . . 99.99 113.657 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 17.2 t70 -106.47 121.35 44.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 99.99 111.684 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.574 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 0.3 OUTLIER 57.94 13.82 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.984 -0.553 . . . . 99.99 112.311 178.543 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 12.8 mmtt -135.16 126.04 27.5 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.278 -0.569 . . . . 99.99 112.445 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 43.4 mtt -141.78 131.4 24.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.452 -0.794 . . . . 99.99 110.204 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.4 p -114.23 119.6 61.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.199 0.524 . . . . 99.99 112.052 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 t -133.99 126.79 30.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.654 -0.703 . . . . 99.99 110.38 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.6 m -125.61 137.21 53.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.838 0.351 . . . . 99.99 111.713 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -138.71 129.31 26.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.042 -0.526 . . . . 99.99 110.919 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 60.66 -87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.044 -0.525 . . . . 99.99 111.341 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.88 21.82 0.9 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.787 -0.72 . . . . 99.99 112.482 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 93.8 mt -110.14 138.73 36.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.687 0.279 . . . . 99.99 110.683 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -95.62 118.68 32.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 99.99 110.734 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 112' ' ' THR . 44.7 t -121.47 120.43 34.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.1 -0.5 . . . . 99.99 110.906 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 52.4 t -123.83 122.3 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 99.99 110.448 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.8 m -114.49 129.98 56.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.655 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.529 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 21.7 tt0 -96.01 120.74 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.944 -0.762 . . . . 99.99 108.944 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.574 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -98.47 115.76 29.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.269 0.84 . . . . 99.99 113.269 -177.448 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 108' ' ' THR . 9.7 m120 -126.2 153.11 45.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.404 -0.816 . . . . 99.99 109.774 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.98 20.42 6.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.325 -0.94 . . . . 99.99 112.555 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -148.79 -34.98 0.2 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.625 0.231 . . . . 99.99 111.625 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 66.8 m -140.89 126.05 18.46 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.943 0.402 . . . . 99.99 111.514 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.9 mm -108.27 121.66 61.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.064 -0.516 . . . . 99.99 110.993 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.5 m -115.32 137.89 51.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 99.99 111.484 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 121' ' ' LYS . 29.2 m-80 -120.95 135.69 55.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 99.99 110.43 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 100' ' ' SER . 3.7 m -120.1 116.54 25.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 99.99 111.614 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.545 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 57.6 mtt -124.82 120.43 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 99.99 109.93 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 45.5 m -120.53 120.9 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 99.99 111.814 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -145.18 116.08 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.696 -0.683 . . . . 99.99 110.453 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 70.16 45.38 56.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.64 -0.79 . . . . 99.99 112.53 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.5 t70 66.31 3.58 2.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.64 0.257 . . . . 99.99 111.615 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 21.3 mt -87.28 137.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 99.99 111.139 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.3 t -109.28 117.7 55.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 99.99 111.298 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.545 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 31.1 t80 -113.26 119.23 37.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 99.99 110.091 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.453 ' HB3' ' HG2' ' A' ' 13' ' ' GLU . 40.8 ttmt -129.09 123.48 32.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 99.99 111.209 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -106.05 122.95 47.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.897 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.2 t -106.21 118.82 54.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 99.99 110.537 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.9 p -127.4 147.32 50.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.203 -0.453 . . . . 99.99 110.603 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 7' ' ' TYR . 24.0 mtpp -106.23 148.63 27.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.351 . . . . 99.99 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -86.98 119.66 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.381 -0.372 . . . . 99.99 110.251 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 8.6 pt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 99.99 111.151 -179.844 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.82 0.343 . . . . 99.99 110.776 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -97.92 115.22 27.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 99.99 111.028 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -176.32 125.77 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 99.99 110.342 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.488 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 38.6 t 70.35 146.23 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.614 -0.721 . . . . 99.99 111.19 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.28 166.19 14.3 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.724 -0.671 . . . . 99.99 112.134 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.443 ' HG2' ' HG2' ' A' ' 40' ' ' GLU . 12.7 tmtt? -99.87 131.86 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 99.99 110.475 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.61 150.14 50.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 99.99 110.142 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 38' ' ' VAL . 5.7 tp60 -118.55 114.58 23.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.901 0.334 . . . . 99.99 111.901 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.54 117.4 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.478 -0.564 . . . . 99.99 109.478 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' NE2' ' HE3' ' A' ' 125' ' ' LYS . 84.5 mt-30 -89.43 -63.07 1.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.882 0.327 . . . . 99.99 111.882 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -147.18 168.19 22.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.371 . . . . 99.99 111.439 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.547 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 13.7 tm0? -145.28 134.57 22.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.955 -0.566 . . . . 99.99 110.724 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 12.9 pt-20 -106.06 151.62 24.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 99.99 110.722 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.42 ' C ' ' HD2' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 92.24 18.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.108 0.88 . . . . 99.99 111.35 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.69 -49.24 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.431 -0.349 . . . . 99.99 111.845 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 19' ' ' MET . 46.8 mt-10 -54.76 -50.71 84.34 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.271 0.471 . . . . 99.99 112.271 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 55.9 Cg_endo -71.81 -40.48 2.7 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 121.917 1.745 . . . . 99.99 113.178 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -64.37 -41.04 96.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.774 0.321 . . . . 99.99 111.48 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.72 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.74 -37.92 89.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.468 -179.512 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HG3' ' HE2' ' A' ' 19' ' ' MET . 63.6 mttm -70.52 -43.92 68.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.779 0.324 . . . . 99.99 110.785 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -69.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.647 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.0 tpp -51.91 -47.48 64.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.701 -0.681 . . . . 99.99 111.759 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.03 6.07 3.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.232 -0.985 . . . . 99.99 112.737 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.72 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 26.0 tp -74.77 144.13 79.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.242 -0.651 . . . . 99.99 109.242 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 3.8 Cg_endo -95.28 136.77 0.73 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.341 2.694 . . . . 99.99 112.11 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.468 ' HG3' ' HE3' ' A' ' 19' ' ' MET . 2.6 mt-10 -51.53 -30.67 21.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 99.99 110.673 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -54.38 -43.91 71.8 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.291 -0.633 . . . . 99.99 109.291 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.408 ' HB2' ' HD2' ' A' ' 25' ' ' PRO . 11.0 mp -69.69 -35.24 74.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.413 -0.812 . . . . 99.99 110.06 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.497 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 38.0 mt -58.3 -48.72 84.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-N 115.943 -0.571 . . . . 99.99 111.493 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.26 -41.32 99.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.41 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -69.5 -31.52 69.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.434 -0.348 . . . . 99.99 111.157 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.32 -37.4 24.52 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 121.033 -0.603 . . . . 99.99 113.625 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -62.38 -25.66 68.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.075 0.437 . . . . 99.99 111.061 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -89.89 -25.22 21.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.412 -0.358 . . . . 99.99 110.868 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.7 mm -102.43 116.67 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 99.99 111.221 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -80.28 107.47 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.394 . . . . 99.99 110.593 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.41 164.59 6.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.879 -0.677 . . . . 99.99 112.758 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.471 ' HB ' ' HB ' ' A' ' 53' ' ' THR . 12.1 t -122.0 138.91 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 99.99 110.469 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m -127.16 123.42 36.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.039 0.447 . . . . 99.99 111.495 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HG2' ' HG2' ' A' ' 6' ' ' LYS . 37.5 mt-10 -134.21 124.73 26.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.69 -0.686 . . . . 99.99 109.659 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 mt -125.85 127.5 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 99.99 111.912 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 t -106.98 114.79 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 99.99 110.046 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.488 ' H ' ' HB2' ' A' ' 4' ' ' SER . 7.4 t60 -105.49 116.86 32.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.906 0.384 . . . . 99.99 111.142 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -137.71 101.74 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.935 -0.575 . . . . 99.99 110.508 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.56 -100.01 0.51 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.799 -0.715 . . . . 99.99 112.285 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -120.68 -13.07 8.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.83 0.348 . . . . 99.99 110.67 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -93.45 114.3 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 99.99 110.667 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.3 t -120.72 124.37 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 99.99 111.383 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -101.49 130.08 47.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.54 . . . . 99.99 110.673 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 tt -120.81 121.55 38.39 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.936 -0.394 . . . . 99.99 109.936 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.8 m -127.58 126.71 42.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.708 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.0 mm -108.7 123.16 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 99.99 109.696 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.471 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 57.7 m -103.6 130.57 51.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 99.99 111.655 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.522 ' C ' ' H ' ' A' ' 56' ' ' SER . 57.7 t80 -120.77 156.67 31.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.463 -0.789 . . . . 99.99 109.686 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.54 22.33 0.3 Allowed Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.661 -0.78 . . . . 99.99 113.109 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 54' ' ' TYR . 48.0 t -157.4 -45.41 0.07 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.912 0.356 . . . . 99.99 111.515 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -130.13 133.16 46.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.149 0.5 . . . . 99.99 112.212 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.33 139.26 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.724 -0.671 . . . . 99.99 110.395 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.0 mt -123.57 124.6 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.963 0.411 . . . . 99.99 111.66 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -116.88 139.75 50.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.94 -0.573 . . . . 99.99 110.508 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -138.62 162.1 35.46 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.088 0.47 . . . . 99.99 111.567 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -143.88 126.81 16.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.774 -0.648 . . . . 99.99 110.442 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -149.41 151.36 33.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 99.99 111.463 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.9 m -113.33 129.14 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.747 -0.66 . . . . 99.99 110.594 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.16 135.72 25.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 99.99 111.079 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.52 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 61.34 53.34 45.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 99.99 112.404 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -163.72 144.27 8.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.893 0.377 . . . . 99.99 111.205 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -82.68 122.53 28.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.55 . . . . 99.99 110.359 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 79.9 m -123.48 152.25 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.364 . . . . 99.99 111.112 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -98.52 120.38 38.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 99.99 110.833 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.5 tp -120.25 145.91 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.9 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -85.45 123.79 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.997 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 p -83.58 166.08 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 99.99 111.027 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -69.38 -12.73 61.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 99.99 110.815 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -81.47 -30.64 33.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 99.99 110.844 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.36 8.55 23.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.951 -0.642 . . . . 99.99 112.344 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -107.91 143.09 37.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.867 0.365 . . . . 99.99 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -85.24 125.14 32.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.046 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.11 146.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.044 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -105.01 135.72 45.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.799 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.57 142.52 28.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.266 -0.425 . . . . 99.99 111.677 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 t -97.6 121.78 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.854 -0.612 . . . . 99.99 110.585 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 p -106.24 120.51 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.252 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.52 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 33.7 mtmm -134.81 152.09 51.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.066 -0.516 . . . . 99.99 110.999 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.66 141.19 34.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 99.99 110.64 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' H ' ' HA ' ' A' ' 91' ' ' MET . 11.3 tp10 -89.58 -20.63 23.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 99.99 110.844 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.51 -104.79 0.55 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.583 -0.818 . . . . 99.99 113.468 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -96.62 126.99 42.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.389 . . . . 99.99 111.617 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 2.4 p-10 49.67 12.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.101 -0.954 . . . . 99.99 112.714 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -137.84 128.96 27.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.17 0.509 . . . . 99.99 112.163 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.406 ' HA ' ' H ' ' A' ' 86' ' ' GLU . 58.4 mtt -141.76 133.02 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.26 -0.882 . . . . 99.99 109.504 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.12 119.04 59.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.888 0.699 . . . . 99.99 112.888 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.3 t -134.15 127.2 31.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.309 -0.86 . . . . 99.99 109.77 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.9 m -120.73 128.9 53.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.01 0.433 . . . . 99.99 112.054 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.441 ' HE1' ' HB2' ' A' ' 100' ' ' SER . 32.4 p90 -138.32 127.04 23.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.703 -0.68 . . . . 99.99 110.197 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 97' ' ' GLY . 14.3 mmmm 52.54 -155.23 0.18 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.503 -0.317 . . . . 99.99 110.533 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.41 ' H ' ' HB3' ' A' ' 96' ' ' LYS . . . -83.0 28.26 3.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.657 -0.783 . . . . 99.99 112.54 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.7 mp -121.51 137.95 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.698 0.285 . . . . 99.99 110.978 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -97.17 127.25 42.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.328 -0.396 . . . . 99.99 110.717 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.441 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 46.2 t -121.76 121.06 36.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 99.99 111.127 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.81 122.11 56.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 99.99 110.262 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 88.5 m -114.42 131.2 56.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 99.99 111.758 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.427 ' HG2' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -96.25 127.27 42.11 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.175 -0.676 . . . . 99.99 109.175 178.574 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.584 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.11 116.55 31.75 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.874 0.694 . . . . 99.99 112.874 -178.222 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.448 ' C ' ' H ' ' A' ' 107' ' ' ASP . 6.6 m120 -125.08 153.82 42.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.666 -0.697 . . . . 99.99 109.964 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.48 30.57 0.85 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.641 -0.79 . . . . 99.99 113.02 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 105' ' ' ASN . 4.0 p30 -169.23 -20.38 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.905 0.352 . . . . 99.99 111.711 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -140.95 145.23 35.76 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.258 0.466 . . . . 99.99 112.258 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.4 mm -132.48 120.54 42.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.813 -0.631 . . . . 99.99 110.839 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.1 m -116.19 137.17 52.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.577 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.477 ' HB3' ' HB3' ' A' ' 122' ' ' ARG . 2.8 t-20 -113.3 131.84 55.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.326 -0.397 . . . . 99.99 110.379 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 100' ' ' SER . 4.4 m -120.4 116.76 26.12 Favored 'General case' 0 N--CA 1.461 0.081 0 N-CA-C 112.551 0.575 . . . . 99.99 112.551 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.506 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 65.8 mtm -125.44 120.84 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 99.99 109.691 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.0 m -121.62 125.1 45.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 99.99 111.952 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.2 tp -135.16 115.54 13.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.953 -0.567 . . . . 99.99 110.424 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.28 -73.97 2.28 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.737 -0.744 . . . . 99.99 112.304 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -164.23 16.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.067 0.46 . . . . 99.99 110.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.5 mt -105.22 137.54 34.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.935 -0.575 . . . . 99.99 111.085 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.7 t -108.94 117.43 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.102 0.477 . . . . 99.99 111.607 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.506 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 29.1 t80 -101.86 119.8 39.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.405 -0.816 . . . . 99.99 110.071 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.547 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 53.5 mtmt -128.04 124.36 36.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.536 -0.302 . . . . 99.99 111.741 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.477 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 23.4 ttm180 -105.74 124.74 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 99.99 110.368 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 40.3 t -103.29 120.32 53.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 99.99 110.819 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 49.7 m -133.23 139.43 46.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 99.99 111.252 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.437 ' HE3' ' NE2' ' A' ' 10' ' ' GLN . 13.8 ptpt -106.91 141.1 38.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.061 -0.518 . . . . 99.99 110.814 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -79.71 122.79 27.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 99.99 110.667 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 42.0 pt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.202 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.772 0.32 . . . . 99.99 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -74.27 129.51 37.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 99.99 110.424 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -63.09 -16.32 59.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 99.99 111.738 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.42 ' HB3' ' O ' ' A' ' 41' ' ' ILE . 26.8 m 50.61 -150.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.704 0.288 . . . . 99.99 110.518 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.22 169.82 24.96 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.9 -0.667 . . . . 99.99 112.945 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmmm? -105.11 126.51 52.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.841 0.353 . . . . 99.99 110.661 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -113.35 150.75 32.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 99.99 110.962 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 124' ' ' SER . 7.6 tp-100 -122.27 126.07 47.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 99.99 111.251 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.53 143.53 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 99.99 110.052 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -113.93 -41.64 3.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.573 -0.285 . . . . 99.99 111.766 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -169.62 168.78 9.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.989 0.423 . . . . 99.99 111.442 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -144.61 133.62 22.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.91 -0.587 . . . . 99.99 110.845 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -98.38 139.55 33.98 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.441 -0.345 . . . . 99.99 110.774 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 58.94 94.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.483 -0.326 . . . . 99.99 110.88 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.83 -40.03 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.489 -0.323 . . . . 99.99 111.101 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 13.9 mm-40 -52.67 -48.45 90.65 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 112.443 0.534 . . . . 99.99 112.443 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 43.9 Cg_endo -68.75 -40.23 7.5 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 121.651 1.567 . . . . 99.99 112.461 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.48 -50.89 65.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.463 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.633 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.94 -38.47 76.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.385 -0.371 . . . . 99.99 111.454 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 70.5 mttt -65.5 -40.87 93.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.378 . . . . 99.99 110.774 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.74 -12.87 61.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 99.99 111.145 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.2 tpp -104.74 -75.56 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 99.99 110.828 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 8.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.971 -0.633 . . . . 99.99 112.188 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.633 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -83.11 118.27 71.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 110.481 -0.192 . . . . 99.99 110.481 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.46 133.27 31.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.361 2.04 . . . . 99.99 112.3 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -50.79 -31.19 16.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.846 -0.616 . . . . 99.99 112.117 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -62.99 -42.19 99.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.656 0.265 . . . . 99.99 111.219 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.27 -39.28 82.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.367 . . . . 99.99 111.244 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 mp -60.15 -41.23 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.455 -0.339 . . . . 99.99 111.563 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 29.5 mm-40 -53.85 -47.03 71.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 99.99 110.931 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.1 -31.98 71.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 99.99 110.71 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.28 -53.65 20.63 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.992 -0.623 . . . . 99.99 113.225 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -56.16 -31.35 63.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 99.99 111.389 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -66.2 -26.8 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 99.99 110.832 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.5 mt -113.18 117.01 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.175 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.36 125.34 23.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.712 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.41 155.14 52.88 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.005 -0.617 . . . . 99.99 112.7 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 t -122.27 133.5 68.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.31 -0.256 . . . . 99.99 110.31 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -135.09 144.98 47.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.961 0.41 . . . . 99.99 111.799 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -134.8 141.78 46.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 99.99 110.078 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 4' ' ' SER . 28.0 mm -122.21 117.71 53.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.828 0.347 . . . . 99.99 111.771 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 85.1 t -109.7 114.55 47.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 99.99 110.418 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.409 ' HB3' ' OG ' ' A' ' 4' ' ' SER . 20.7 t-80 -105.06 115.7 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 99.99 110.956 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -138.4 106.33 5.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.07 -0.514 . . . . 99.99 111.529 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 50.52 62.25 5.32 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.14 -0.552 . . . . 99.99 113.488 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 68.31 -17.56 0.17 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.321 0.489 . . . . 99.99 112.321 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 45' ' ' GLY . 56.3 mtpt -91.54 108.25 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 99.99 110.508 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 61.0 t -109.19 127.49 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 99.99 111.298 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HG2' ' HB3' ' A' ' 62' ' ' GLU . 97.0 mttt -103.03 137.88 40.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 99.99 110.941 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.0 tp -111.09 123.86 51.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 99.99 110.738 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.0 m -123.28 126.21 46.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.878 0.371 . . . . 99.99 111.024 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mt -131.4 130.39 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.736 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -120.02 129.9 54.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.368 . . . . 99.99 111.548 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.418 ' HB3' ' H52' ' A' ' 128' ' ' OLA . 55.4 m-85 -121.66 109.02 14.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.926 -0.579 . . . . 99.99 110.62 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.94 -85.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.565 -0.826 . . . . 99.99 112.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.1 p -136.37 13.84 3.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.567 0.222 . . . . 99.99 111.326 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -109.54 121.57 45.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 99.99 111.319 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.12 126.69 52.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.103 0.478 . . . . 99.99 110.709 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.7 mm -115.57 116.38 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 99.99 110.659 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -116.95 130.05 56.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.534 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -138.82 161.13 38.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 99.99 110.529 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 10.2 pt-20 -143.53 140.54 30.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 99.99 111.054 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -148.7 145.19 27.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.419 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.473 ' HB ' ' HB2' ' A' ' 67' ' ' GLU . 53.6 m -104.68 131.12 52.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.898 -0.592 . . . . 99.99 110.853 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.9 mt -55.57 139.46 44.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 99.99 111.11 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.511 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 56.76 27.84 56.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.025 -0.607 . . . . 99.99 112.695 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 11.3 mm-40 -141.65 138.15 32.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.946 0.403 . . . . 99.99 110.979 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 41.3 tt0 -86.6 120.5 27.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 99.99 110.496 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.9 t -115.92 157.27 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 99.99 111.137 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.21 122.41 39.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 99.99 110.566 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tt -117.7 143.69 45.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 99.99 110.941 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -86.33 121.88 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 99.99 110.718 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 m -87.47 164.68 16.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 99.99 111.126 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.2 ttm -69.25 -24.62 64.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.674 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -66.04 -13.22 59.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.895 -0.593 . . . . 99.99 111.249 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.34 -20.44 46.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.823 -0.703 . . . . 99.99 112.263 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -96.44 145.61 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.333 . . . . 99.99 111.07 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -84.7 141.37 30.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 99.99 111.416 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.76 134.07 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 99.99 111.013 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -90.79 136.72 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.978 0.418 . . . . 99.99 111.184 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.44 142.52 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 99.99 111.57 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.415 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 6.8 p -110.32 123.4 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 99.99 110.591 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.65 133.27 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.908 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.511 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 70.0 mttt -131.91 152.09 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.939 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -106.34 142.25 36.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 99.99 111.104 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -102.29 -11.88 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.918 -0.583 . . . . 99.99 110.357 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.92 -127.68 5.24 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.589 -0.732 . . . . 99.99 112.64 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 14.2 m-20 -101.04 128.39 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.881 0.372 . . . . 99.99 110.906 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 1.5 m-20 79.6 -7.71 1.67 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.046 -0.979 . . . . 99.99 112.51 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 128.76 39.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.579 0.585 . . . . 99.99 112.579 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.1 mmt -141.62 136.97 31.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.266 -0.879 . . . . 99.99 109.86 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.4 p -129.72 121.41 52.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.223 0.535 . . . . 99.99 112.013 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.6 t -133.36 135.68 44.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.625 -0.716 . . . . 99.99 110.386 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.8 p -125.21 129.17 49.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.864 0.364 . . . . 99.99 111.652 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -138.79 127.5 23.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 99.99 110.915 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.613 ' HB3' ' HZ3' ' A' ' 96' ' ' LYS . 7.4 ttpm? 61.85 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 99.99 111.338 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -157.7 8.78 0.21 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.691 -0.766 . . . . 99.99 112.554 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 79.2 mt -101.01 137.8 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.746 0.308 . . . . 99.99 111.064 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -97.84 121.63 39.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 99.99 110.701 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 112' ' ' THR . 68.9 m -120.36 120.51 36.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 99.99 110.773 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 56.0 t -121.13 122.55 67.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.953 -0.567 . . . . 99.99 110.341 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 m -114.24 130.57 56.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.1 -0.5 . . . . 99.99 111.71 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 41.4 tt0 -96.32 121.81 38.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.813 -0.63 . . . . 99.99 109.332 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -101.4 116.11 32.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.18 0.514 . . . . 99.99 112.126 -178.639 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 108' ' ' THR . 9.7 m120 -125.69 154.16 42.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.634 -0.712 . . . . 99.99 110.027 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.43 36.77 1.79 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.389 -0.91 . . . . 99.99 112.858 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -171.33 -36.82 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 111.972 0.36 . . . . 99.99 111.972 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 62.8 m -140.7 127.07 19.89 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.37 0.507 . . . . 99.99 112.37 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp -112.41 129.57 67.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.114 -0.494 . . . . 99.99 110.809 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 89.8 m -115.28 140.03 49.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 99.99 111.322 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.497 ' HB3' ' HB3' ' A' ' 122' ' ' ARG . 8.4 t30 -114.03 132.34 56.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 99.99 110.573 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 100' ' ' SER . 1.6 m -118.98 117.13 27.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.818 0.342 . . . . 99.99 111.758 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 61.6 mtt -124.64 121.31 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 99.99 110.212 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.5 m -119.5 121.97 40.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 99.99 111.911 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.6 tp -143.78 115.44 8.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 99.99 110.504 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.14 45.24 72.68 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.811 -0.709 . . . . 99.99 112.558 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 65.02 5.89 3.18 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.551 0.215 . . . . 99.99 111.526 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.6 mt -90.16 136.25 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.705 0.288 . . . . 99.99 110.737 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -101.08 136.88 30.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.217 0.532 . . . . 99.99 111.857 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.4 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 31.5 t80 -132.44 119.29 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.512 -0.767 . . . . 99.99 109.833 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -128.94 122.91 31.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.731 0.301 . . . . 99.99 111.383 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.497 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 42.8 ttp180 -103.04 132.65 49.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.693 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.4 t -102.46 119.12 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 99.99 110.296 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 13.8 m -133.02 141.75 48.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 99.99 111.371 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.678 ' HZ1' ' HB2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -118.17 149.07 41.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.862 -0.608 . . . . 99.99 110.708 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -82.16 129.09 34.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 99.99 110.886 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.4 pt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 99.99 111.104 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' OLA . . . . . 0.418 ' H52' ' HB3' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtm . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.689 0.28 . . . . 99.99 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -93.56 123.97 37.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 99.99 110.825 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -142.05 -37.18 0.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.485 . . . . 99.99 110.87 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 t -95.24 136.04 36.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 99.99 110.894 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.71 145.15 4.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 99.99 112.651 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -94.25 139.16 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 99.99 111.039 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -128.31 150.28 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.608 . . . . 99.99 110.555 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.13 123.66 46.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.323 . . . . 99.99 111.622 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -71.56 133.77 31.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 116.246 -0.434 . . . . 99.99 110.358 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -106.47 -37.91 6.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.908 0.336 . . . . 99.99 111.908 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 t -156.51 167.65 29.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.041 0.448 . . . . 99.99 111.74 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.482 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 14.5 tm0? -145.85 154.98 42.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.675 -0.693 . . . . 99.99 110.342 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 42.1 mt-10 -113.78 136.88 52.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.67 0.271 . . . . 99.99 111.325 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 93.8 m-20 66.52 120.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.032 -0.531 . . . . 99.99 111.301 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.407 ' HB3' ' CG2' ' A' ' 29' ' ' ILE . 17.4 m-85 -130.07 -61.97 0.96 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.461 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 19' ' ' MET . 45.2 mt-10 -48.28 -47.45 67.31 Favored Pre-proline 0 N--CA 1.463 0.225 0 CA-C-N 116.043 -0.526 . . . . 99.99 111.897 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 32.5 Cg_exo -58.11 -40.75 74.28 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 121.662 1.575 . . . . 99.99 112.192 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.7 -52.48 60.36 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.147 0.425 . . . . 99.99 112.147 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.689 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -59.73 -37.44 78.93 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.648 0.261 . . . . 99.99 111.499 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 92.5 mttt -70.05 -45.2 67.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.587 -0.279 . . . . 99.99 111.533 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.09 -75.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.977 0.418 . . . . 99.99 111.867 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.5 tpp -47.23 -36.93 9.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.585 -0.734 . . . . 99.99 112.015 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.87 10.18 21.44 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.528 -0.844 . . . . 99.99 112.143 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.689 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 24.0 tp -74.26 149.56 86.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 108.747 -0.835 . . . . 99.99 108.747 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 3.1 Cg_exo -82.45 125.91 4.6 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.723 2.282 . . . . 99.99 112.519 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB3' ' SD ' ' A' ' 19' ' ' MET . 13.3 pt-20 -52.78 -33.37 48.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.052 -0.522 . . . . 99.99 111.187 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.37 -46.97 88.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.308 -0.406 . . . . 99.99 110.296 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.3 mp -63.7 -36.11 82.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.843 -0.617 . . . . 99.99 110.417 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 19' ' ' MET . 3.8 mt -57.62 -48.78 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.2 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' HA ' ' HD3' ' A' ' 33' ' ' LYS . 80.7 mm-40 -60.34 -42.91 96.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.022 -0.535 . . . . 99.99 111.543 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -68.72 -31.73 71.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.474 -0.33 . . . . 99.99 111.252 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.19 -33.42 32.5 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.891 -0.671 . . . . 99.99 113.368 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 17.9 ptmt -77.29 -27.54 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 99.99 111.427 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -73.88 -25.6 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.345 -0.389 . . . . 99.99 111.116 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -113.04 124.28 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 99.99 111.28 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -60.73 110.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 99.99 111.012 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.69 173.93 29.42 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.942 -0.647 . . . . 99.99 112.576 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 p -132.91 142.56 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 99.99 111.158 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -135.88 122.97 21.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 99.99 110.634 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -125.0 143.34 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.612 0.244 . . . . 99.99 110.685 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.1 mt -127.0 119.61 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 99.99 111.476 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.0 t -108.33 114.69 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 99.99 110.476 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -103.57 114.93 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 99.99 111.024 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -138.87 104.26 5.02 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.089 -0.505 . . . . 99.99 111.564 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 50.19 60.65 6.48 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 121.191 -0.528 . . . . 99.99 113.53 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 69.16 -18.61 0.18 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.18 0.437 . . . . 99.99 112.18 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 45' ' ' GLY . 5.1 mptp? -90.36 108.37 19.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 99.99 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 49.1 t -106.41 140.51 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 99.99 111.797 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.516 ' HG2' ' HG2' ' A' ' 62' ' ' GLU . 36.0 mtmm -118.49 128.32 54.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.672 -0.695 . . . . 99.99 110.347 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.29 128.7 54.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 99.99 111.075 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.8 m -125.78 126.16 44.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.032 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.5 mt -131.44 136.87 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 99.99 110.701 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.5 m -118.22 130.13 55.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 99.99 111.417 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.759 ' HH ' H131 ' A' ' 128' ' ' OLA . 63.0 m-85 -121.53 108.98 14.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 99.99 110.266 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.58 -83.82 0.2 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.738 -0.744 . . . . 99.99 112.382 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -142.76 18.28 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 99.99 110.969 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -111.09 136.37 50.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 99.99 110.965 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.91 126.29 59.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.051 -0.522 . . . . 99.99 110.522 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.0 mt -119.21 115.95 49.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 99.99 110.785 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -118.9 143.21 47.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.545 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -149.14 149.82 31.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 99.99 110.676 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.516 ' HG2' ' HG2' ' A' ' 49' ' ' LYS . 38.1 mt-10 -125.46 134.61 52.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 99.99 111.015 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.417 ' HA ' ' SG ' ' A' ' 69' ' ' CYS . 8.2 p90 -148.94 151.56 34.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.325 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 m -107.62 131.15 54.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.034 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 pp -58.95 158.48 8.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.033 -0.53 . . . . 99.99 111.424 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.525 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 47.81 35.06 11.75 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.91 -0.586 . . . . 99.99 112.985 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -161.91 142.9 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 99.99 110.952 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.3 120.0 20.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 99.99 110.702 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 63' ' ' PHE . 31.6 t -118.85 157.12 28.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.39 -0.368 . . . . 99.99 110.651 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.504 ' HG2' ' HE2' ' A' ' 78' ' ' LYS . 42.2 tt0 -107.84 120.56 42.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 99.99 111.184 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -119.05 146.81 44.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 99.99 110.863 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -84.55 131.39 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 99.99 110.827 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.4 p -93.23 177.43 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 99.99 111.263 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.9 ptp -67.14 -26.96 66.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 99.99 110.791 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.417 ' HG1' ' H ' ' A' ' 77' ' ' GLU . 30.1 p -79.1 -4.45 50.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 99.99 111.171 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.68 -14.16 56.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.569 -0.824 . . . . 99.99 112.189 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' H ' ' HG1' ' A' ' 75' ' ' THR . 44.6 tt0 -75.46 140.31 42.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.809 0.338 . . . . 99.99 110.76 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HE2' ' HG2' ' A' ' 70' ' ' GLU . 14.4 mmmm -90.96 125.44 35.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.075 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.7 m -121.87 147.38 25.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.172 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -106.5 136.58 46.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.282 -0.417 . . . . 99.99 110.791 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.62 143.37 28.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.696 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.3 t -99.6 115.09 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 99.99 110.62 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.3 122.9 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.988 0.423 . . . . 99.99 111.171 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.525 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 22.6 mtpp -134.39 151.74 51.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.925 -0.58 . . . . 99.99 110.565 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -94.29 137.71 33.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.3 -0.409 . . . . 99.99 110.669 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -100.2 -12.13 19.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.041 0.448 . . . . 99.99 110.676 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.29 109.3 2.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 99.99 113.365 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER 54.19 -134.44 1.59 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.251 0.548 . . . . 99.99 111.11 179.052 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.61 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 8.8 p30 -45.6 0.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.615 -1.175 . . . . 99.99 113.67 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.603 ' HD3' ' O ' ' A' ' 89' ' ' ASN . 69.8 mmtt -128.89 123.33 32.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 118.716 0.689 . . . . 99.99 112.774 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.7 mtp -139.5 129.99 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.114 -0.948 . . . . 99.99 109.259 177.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.41 118.31 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.247 0.546 . . . . 99.99 112.464 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 t -134.59 129.39 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.432 -0.803 . . . . 99.99 110.038 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -124.38 128.55 49.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 99.99 112.124 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -136.21 123.31 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.671 -0.695 . . . . 99.99 109.74 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp 55.13 -153.73 0.31 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 99.99 110.163 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.19 12.86 35.74 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.52 -0.847 . . . . 99.99 112.651 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 25.8 mm -102.9 133.06 47.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 99.99 111.042 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -100.05 121.59 41.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.454 -0.339 . . . . 99.99 110.585 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 112' ' ' THR . 27.9 p -121.5 120.86 36.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 99.99 111.327 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 71.0 t -125.28 122.82 63.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.841 -0.618 . . . . 99.99 110.179 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.4 m -113.5 132.08 55.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.383 . . . . 99.99 111.721 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.61 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 21.1 tt0 -99.58 120.22 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 99.99 110.042 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.585 ' N ' ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -95.14 115.07 26.95 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 113.15 0.796 . . . . 99.99 113.15 -178.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 108' ' ' THR . 0.9 OUTLIER -125.87 153.34 44.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.947 -1.024 . . . . 99.99 109.992 178.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.5 27.65 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.375 -0.917 . . . . 99.99 112.521 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -151.19 -47.67 0.12 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 120.694 0.283 . . . . 99.99 111.438 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 58.0 m -138.93 123.65 18.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.853 0.358 . . . . 99.99 111.448 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.1 mp -102.68 124.19 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 99.99 110.755 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.4 m -115.58 139.67 49.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.328 -0.396 . . . . 99.99 111.71 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.602 ' HB3' ' HG2' ' A' ' 122' ' ' ARG . 6.7 t30 -119.51 139.52 51.97 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.464 -0.335 . . . . 99.99 110.596 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 100' ' ' SER . 0.6 OUTLIER -119.51 119.14 32.98 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.201 0.445 . . . . 99.99 112.201 -179.194 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.537 ' HG3' ' ND2' ' A' ' 111' ' ' ASN . 67.1 mtt -124.12 120.5 32.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.545 . . . . 99.99 109.609 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.4 m -127.37 125.44 40.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.224 0.453 . . . . 99.99 112.224 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -127.58 115.57 19.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.783 -0.644 . . . . 99.99 109.863 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.63 -79.28 0.7 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.664 -0.779 . . . . 99.99 112.03 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -149.69 4.88 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 99.99 110.818 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.3 mt -87.35 137.84 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 99.99 111.754 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.3 t -110.72 117.0 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.969 -0.559 . . . . 99.99 110.806 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.512 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 27.7 t80 -115.35 117.26 29.93 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.725 -0.472 . . . . 99.99 109.725 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.482 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 39.9 ttpt -130.46 132.22 45.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 99.99 111.537 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.602 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 16.7 ptt180 -116.67 131.23 57.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 99.99 111.186 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.66 119.5 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 99.99 110.352 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.0 m -119.56 140.29 50.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.94 0.4 . . . . 99.99 111.57 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.68 140.08 40.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.909 -0.587 . . . . 99.99 110.47 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -71.0 127.7 33.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 99.99 111.074 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.5 pt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.026 -0.534 . . . . 99.99 111.132 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' OLA . . . . . 0.759 H131 ' HH ' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.806 0.336 . . . . 99.99 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -84.48 98.8 10.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.114 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -146.96 -45.46 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.043 -0.526 . . . . 99.99 111.052 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.9 t -103.44 130.71 50.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.154 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.88 177.41 43.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.693 -0.765 . . . . 99.99 112.398 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.48 ' HG3' ' HG2' ' A' ' 40' ' ' GLU . 75.9 tttt -119.57 124.11 45.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.32 . . . . 99.99 110.8 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -125.99 146.48 49.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 99.99 110.463 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 124' ' ' SER . 0.0 OUTLIER -116.97 128.81 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 99.99 111.607 -178.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.7 t -69.71 126.12 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 99.99 109.974 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.525 ' HG2' ' HZ1' ' A' ' 36' ' ' LYS . 53.7 mt-30 -101.04 -37.53 8.57 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.828 0.307 . . . . 99.99 111.828 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.7 t -166.09 162.32 17.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.129 0.49 . . . . 99.99 111.67 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.542 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 12.9 tm0? -145.25 132.62 20.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.782 -0.645 . . . . 99.99 110.351 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.78 134.68 37.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.688 0.28 . . . . 99.99 111.024 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 62.79 100.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 99.99 110.974 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -55.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.984 -0.553 . . . . 99.99 111.127 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.502 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 40.2 mt-10 -48.86 -48.6 70.82 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 112.858 0.688 . . . . 99.99 112.858 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 40.1 Cg_endo -66.58 -40.9 12.51 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.737 1.625 . . . . 99.99 113.301 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.71 -49.88 55.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 99.99 111.323 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.631 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.45 -45.08 95.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 99.99 112.046 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.551 ' N ' ' SD ' ' A' ' 19' ' ' MET . 12.0 tttm -70.43 -39.05 74.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.35 -0.386 . . . . 99.99 111.444 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.68 -11.97 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.084 0.469 . . . . 99.99 110.515 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.8 tpt -101.18 -69.43 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.681 -0.69 . . . . 99.99 110.653 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.55 6.48 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.947 -0.644 . . . . 99.99 112.564 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 14.3 tp -80.98 139.17 49.53 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 122.979 -0.13 . . . . 99.99 110.705 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 1.8 Cg_endo -83.45 123.72 3.46 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.178 2.585 . . . . 99.99 112.712 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 35.1 tt0 -52.32 -28.35 18.87 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.215 -0.448 . . . . 99.99 112.168 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.25 -49.05 77.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.669 0.248 . . . . 99.99 111.669 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.4 -37.7 74.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.166 0.508 . . . . 99.99 110.905 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.4 mt -62.77 -40.4 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.483 -0.78 . . . . 99.99 112.43 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 25.9 mm-40 -54.45 -47.9 72.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 99.99 111.078 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -69.81 -31.54 69.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.558 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.55 -30.4 49.18 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.901 -0.666 . . . . 99.99 114.105 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.3 -28.85 64.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.257 0.528 . . . . 99.99 111.171 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.03 -6.5 54.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.917 0.389 . . . . 99.99 110.586 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.3 mt -114.27 125.1 71.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.922 -0.581 . . . . 99.99 111.178 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HZ1' ' HG2' ' A' ' 10' ' ' GLN . 27.5 mtpp -61.66 114.63 3.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 99.99 110.479 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.72 160.7 18.85 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.847 -0.692 . . . . 99.99 112.632 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.4 t -122.62 133.34 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.57 0.224 . . . . 99.99 110.68 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.8 p -135.07 128.33 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 99.99 111.289 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HG2' ' HG3' ' A' ' 6' ' ' LYS . 41.4 mt-10 -134.61 127.72 31.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 99.99 110.56 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.3 mp -113.75 119.11 60.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.881 0.372 . . . . 99.99 111.46 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 91.6 t -108.36 114.68 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 99.99 110.329 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -103.1 116.28 32.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.766 0.317 . . . . 99.99 111.172 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -138.13 101.93 4.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.136 -0.483 . . . . 99.99 111.482 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 47.38 64.97 2.55 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.275 -0.488 . . . . 99.99 113.31 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt 68.58 -17.84 0.18 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.173 0.434 . . . . 99.99 112.173 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 45' ' ' GLY . 59.7 mtpt -90.42 108.62 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.119 -0.326 . . . . 99.99 110.119 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 60.5 t -108.28 124.97 65.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.981 0.419 . . . . 99.99 111.887 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -99.02 127.0 44.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.882 -0.599 . . . . 99.99 110.032 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.98 124.26 51.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 99.99 110.826 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.3 m -125.68 127.22 45.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 99.99 111.357 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.2 mm -127.71 127.65 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 99.99 110.456 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.3 m -111.09 131.13 55.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.015 0.436 . . . . 99.99 111.702 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -120.67 109.41 15.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.774 -0.648 . . . . 99.99 110.422 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.18 -85.07 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 99.99 112.497 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.3 p -138.59 13.76 2.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.713 0.292 . . . . 99.99 111.416 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -112.95 129.67 56.4 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.389 -0.369 . . . . 99.99 111.202 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.9 t -102.32 126.42 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 99.99 110.583 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -112.16 121.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.825 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -109.88 144.31 38.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.518 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -147.75 161.68 40.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.945 -0.57 . . . . 99.99 110.78 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -145.26 129.05 17.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 99.99 111.126 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -148.61 152.65 37.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.146 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 67' ' ' GLU . 33.1 m -96.0 131.96 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 99.99 110.717 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -41.83 -93.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.932 0.715 . . . . 99.99 112.932 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . -74.91 40.91 1.21 Allowed Glycine 0 C--N 1.316 -0.545 0 CA-C-N 115.467 -0.788 . . . . 99.99 113.698 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 16.6 mm-40 -149.76 132.47 15.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 99.99 110.752 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -74.17 119.07 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 99.99 110.515 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.5 t -116.52 157.43 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 99.99 110.996 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -98.2 119.35 36.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.118 -0.492 . . . . 99.99 110.989 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.56 145.72 38.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 99.99 110.747 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -85.97 134.17 33.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 99.99 111.008 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.6 p -89.57 171.32 9.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 99.99 110.926 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.9 tpp -68.97 -25.62 64.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.82 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.6 p -78.89 -23.43 44.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 99.99 111.018 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.15 7.98 34.46 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.833 -0.699 . . . . 99.99 111.99 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -88.92 146.06 25.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 99.99 110.86 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -91.42 119.15 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 99.99 110.776 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.17 146.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.21 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.6 ' HB3' ' HZ3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -108.57 132.91 53.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 99.99 110.619 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.53 142.37 27.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.95 0.405 . . . . 99.99 111.607 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.4 p -123.52 115.01 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 99.99 110.813 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 p -109.77 116.02 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 99.99 110.934 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 91' ' ' MET . 26.3 mtpp -104.64 143.36 33.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.398 -0.364 . . . . 99.99 110.909 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.12 140.54 44.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.008 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -104.12 -21.95 13.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.801 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.95 33.47 62.68 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.65 -0.786 . . . . 99.99 112.315 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -151.42 59.1 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.459 0.171 . . . . 99.99 111.155 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.611 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 9.3 t30 54.85 14.24 0.87 Allowed 'General case' 0 C--O 1.225 -0.196 0 CA-C-O 120.644 0.259 . . . . 99.99 110.997 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.7 128.39 30.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.204 0.526 . . . . 99.99 112.132 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 54.9 ttm -142.02 146.79 35.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.242 -0.89 . . . . 99.99 109.867 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -131.54 122.36 50.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.047 0.451 . . . . 99.99 112.048 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.8 t -133.65 135.25 44.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.83 -0.623 . . . . 99.99 110.76 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.2 p -126.24 126.34 43.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.664 0.269 . . . . 99.99 111.566 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -139.14 128.1 23.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 99.99 111.209 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm 58.53 22.23 9.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 99.99 112.091 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.4 4.2 83.67 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.583 -0.818 . . . . 99.99 112.967 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 69.0 mt -90.19 139.11 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.575 0.226 . . . . 99.99 110.426 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -95.89 118.07 31.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.89 0.376 . . . . 99.99 111.226 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 112' ' ' THR . 62.1 m -122.41 120.28 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.576 . . . . 99.99 110.74 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.7 t -108.74 120.32 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.4 . . . . 99.99 110.753 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.415 ' O ' ' HB3' ' A' ' 91' ' ' MET . 40.0 m -116.47 122.82 45.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.55 . . . . 99.99 111.662 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -96.65 131.78 42.97 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.304 -0.628 . . . . 99.99 109.304 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.611 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.07 116.17 31.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.112 0.782 . . . . 99.99 113.112 -177.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.43 153.57 43.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.258 -0.883 . . . . 99.99 110.223 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.03 36.47 1.7 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.631 -0.795 . . . . 99.99 112.856 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -172.89 -28.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.859 0.318 . . . . 99.99 111.859 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.0 m -140.97 133.52 28.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.895 0.378 . . . . 99.99 111.86 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.6 mm -118.47 121.57 67.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.902 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -110.91 139.3 46.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.401 -0.363 . . . . 99.99 111.325 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -123.93 131.74 53.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.281 -0.418 . . . . 99.99 111.022 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.554 ' O ' ' HA ' ' A' ' 100' ' ' SER . 1.8 m -120.29 118.39 30.3 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.392 -0.367 . . . . 99.99 111.491 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.613 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 63.8 mtt -124.38 127.37 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.079 -0.341 . . . . 99.99 110.079 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.5 m -120.67 121.81 39.09 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.985 0.422 . . . . 99.99 111.976 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -144.59 115.78 7.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.814 -0.63 . . . . 99.99 109.855 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.43 95.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.542 -0.837 . . . . 99.99 112.268 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 66.82 5.59 4.08 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 122.382 0.273 . . . . 99.99 111.656 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.4 mt -87.5 137.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.589 -0.278 . . . . 99.99 110.75 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.2 t -105.13 134.28 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.179 0.514 . . . . 99.99 111.747 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.613 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 42.1 t80 -125.11 120.15 30.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.563 -0.744 . . . . 99.99 110.032 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.542 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 40.4 ttpt -128.22 124.25 36.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.462 -0.336 . . . . 99.99 111.322 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -112.41 122.77 48.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 99.99 110.567 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 62.1 t -102.51 119.59 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.942 -0.572 . . . . 99.99 110.57 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 89.1 p -130.24 138.95 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.854 0.359 . . . . 99.99 111.051 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.28 144.42 44.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.058 -0.519 . . . . 99.99 110.869 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -71.34 133.89 46.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 99.99 111.151 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.2 pt . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.065 179.722 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.725 0.298 . . . . 99.99 111.002 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -100.03 106.55 18.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 99.99 110.938 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.14 -37.73 0.51 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 99.99 110.93 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.9 p -97.8 129.26 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 99.99 110.927 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.57 167.44 38.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.777 . . . . 99.99 112.579 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -107.29 118.73 37.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 99.99 110.539 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -119.63 150.57 40.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 99.99 110.742 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 124' ' ' SER . 7.7 tp-100 -126.22 129.88 49.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 99.99 110.848 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.6 t -68.99 136.47 26.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.489 . . . . 99.99 110.611 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -109.14 -42.49 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 99.99 111.3 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -161.4 163.05 30.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.05 0.453 . . . . 99.99 111.47 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.573 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 7.9 tm0? -145.68 133.07 20.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.737 -0.665 . . . . 99.99 110.26 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -94.27 126.59 39.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.726 -0.216 . . . . 99.99 110.671 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 80.15 148.23 0.09 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.89 0.744 . . . . 99.99 111.122 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -166.95 -45.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 99.99 111.522 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . 10.0 mm-40 -63.18 -49.9 78.08 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.163 0.431 . . . . 99.99 112.163 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.552 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 12.2 Cg_exo -70.43 -41.47 3.4 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.983 1.789 . . . . 99.99 112.685 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -59.95 -52.15 66.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 99.99 111.056 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.584 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 23.0 mmt -65.46 -38.38 89.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.609 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' NZ ' ' HB3' ' A' ' 26' ' ' GLU . 12.8 mptt -58.06 -43.7 87.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.105 0.479 . . . . 99.99 110.419 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -17.22 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.543 -0.753 . . . . 99.99 110.803 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.1 tpp -93.78 -76.71 0.47 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.793 -0.64 . . . . 99.99 110.715 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.49 39.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.011 -0.614 . . . . 99.99 112.325 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 17.5 tp -117.74 133.43 23.32 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.547 0.213 . . . . 99.99 110.864 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -71.73 136.49 28.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.505 2.137 . . . . 99.99 112.47 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -51.59 -33.56 33.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.718 -0.674 . . . . 99.99 111.801 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -56.34 -47.74 78.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.723 0.297 . . . . 99.99 110.972 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.66 -36.97 76.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.401 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.0 mt -59.11 -48.58 86.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.885 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 23.2 mm-40 -57.23 -41.57 79.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.034 -0.53 . . . . 99.99 111.504 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -68.76 -31.73 70.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.371 . . . . 99.99 111.223 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.14 -49.33 12.92 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.931 -0.652 . . . . 99.99 112.819 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -65.49 -32.16 73.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.738 0.304 . . . . 99.99 111.166 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.51 -19.88 65.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 99.99 110.945 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.2 mt -114.07 127.07 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 99.99 111.225 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.85 124.96 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.596 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.8 158.94 53.36 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.738 -0.744 . . . . 99.99 112.566 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 t -122.26 133.4 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.556 0.217 . . . . 99.99 110.59 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.0 p -135.16 128.04 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.01 0.433 . . . . 99.99 111.905 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -134.98 132.19 38.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 99.99 109.677 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.6 mt -125.06 122.3 62.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.236 0.458 . . . . 99.99 112.236 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.23 114.58 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.898 -0.592 . . . . 99.99 110.048 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -103.98 118.79 37.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 99.99 111.5 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -136.53 103.91 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.935 -0.575 . . . . 99.99 110.521 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.97 -94.64 0.18 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 99.99 112.242 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -127.96 -17.64 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 99.99 110.678 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -91.3 112.98 25.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.504 . . . . 99.99 110.729 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.8 p -109.74 141.96 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 99.99 111.027 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HG2' ' HB3' ' A' ' 62' ' ' GLU . 59.9 mttp -116.29 123.76 48.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.294 -0.412 . . . . 99.99 110.839 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.9 tp -110.43 123.48 49.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.935 -0.575 . . . . 99.99 110.767 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.1 m -118.28 126.71 52.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.149 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.9 mm -130.56 125.92 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 99.99 110.057 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 91.5 m -105.3 128.09 53.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.049 0.452 . . . . 99.99 112.014 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' O ' ' HB3' ' A' ' 57' ' ' LYS . 34.0 m-85 -123.97 108.75 12.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.579 -0.737 . . . . 99.99 110.776 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.01 66.52 2.14 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.64 -0.791 . . . . 99.99 113.183 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 m 66.75 -0.03 1.74 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.781 0.659 . . . . 99.99 112.781 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 53' ' ' THR . 39.5 ttpt -96.64 136.17 37.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.753 0.311 . . . . 99.99 110.608 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.9 t -105.26 126.42 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.381 -0.372 . . . . 99.99 111.444 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.7 mt -116.86 116.18 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 99.99 110.481 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -118.25 140.29 50.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.349 -0.387 . . . . 99.99 111.742 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -158.64 119.32 3.31 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.074 -0.512 . . . . 99.99 111.089 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.519 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 10.1 pt-20 -106.08 140.58 38.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.37 -0.377 . . . . 99.99 110.482 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -148.83 152.3 36.26 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.03 0.443 . . . . 99.99 111.557 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -96.65 131.24 43.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.902 -0.59 . . . . 99.99 111.236 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.3 mt -52.92 134.14 37.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.729 -0.669 . . . . 99.99 110.98 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.31 44.07 98.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 99.99 112.389 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -153.12 148.93 27.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.719 0.295 . . . . 99.99 110.766 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -81.32 119.04 23.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 99.99 110.62 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.6 t -119.8 158.29 26.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 99.99 110.61 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG2' ' HE2' ' A' ' 78' ' ' LYS . 43.9 tt0 -95.18 119.07 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 99.99 111.052 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.06 145.91 46.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.711 -0.677 . . . . 99.99 110.301 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -85.49 148.0 26.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.763 0.316 . . . . 99.99 110.423 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.7 p -95.49 177.97 5.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 99.99 110.947 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.92 -12.82 57.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 99.99 110.57 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.6 p -103.46 -1.75 27.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.605 . . . . 99.99 111.194 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.13 3.37 79.34 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.697 -0.763 . . . . 99.99 112.159 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.98 136.11 37.12 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.768 0.318 . . . . 99.99 110.822 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.42 ' HE2' ' HG2' ' A' ' 70' ' ' GLU . 13.6 mmmm -85.42 124.49 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 99.99 111.304 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.3 m -129.8 164.46 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.937 -0.574 . . . . 99.99 110.944 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -107.03 131.88 53.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 99.99 111.453 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.88 142.0 27.16 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 99.99 111.795 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.0 t -103.91 120.12 53.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.044 -0.525 . . . . 99.99 110.885 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 t -100.24 117.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 99.99 110.203 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.618 ' HZ2' ' HB2' ' A' ' 84' ' ' LYS . 1.9 ttmp? -127.27 151.26 48.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 99.99 111.305 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.8 mtm -110.74 120.75 43.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 99.99 110.779 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.682 ' H ' ' HA ' ' A' ' 91' ' ' MET . 9.3 tp10 -72.07 -10.79 60.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.059 0.457 . . . . 99.99 110.384 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.81 -124.7 3.88 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.703 -0.68 . . . . 99.99 112.808 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 7.6 m-20 -98.59 127.55 44.56 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.811 0.339 . . . . 99.99 110.859 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 3.9 t-20 73.42 -10.1 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.328 -0.851 . . . . 99.99 111.889 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 128.74 38.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.085 0.469 . . . . 99.99 112.066 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.682 ' HA ' ' H ' ' A' ' 86' ' ' GLU . 61.7 mtt -141.1 135.48 30.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.582 -0.736 . . . . 99.99 110.104 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.4 117.95 56.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 120.949 0.404 . . . . 99.99 112.089 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.2 t -135.32 125.4 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 99.99 110.391 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.1 p -126.4 139.3 53.38 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.04 0.385 . . . . 99.99 112.04 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -138.73 133.54 32.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.01 -0.541 . . . . 99.99 110.666 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt 59.38 -88.6 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.233 -0.439 . . . . 99.99 111.05 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -149.72 3.66 0.62 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.018 -0.611 . . . . 99.99 111.906 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.1 mp -90.91 139.57 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.638 0.256 . . . . 99.99 110.756 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -95.35 120.08 34.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.405 -0.361 . . . . 99.99 110.666 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.6 t -121.54 120.88 36.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.044 -0.526 . . . . 99.99 111.156 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.5 t -120.35 122.76 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 99.99 110.205 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 87.2 m -112.22 125.52 54.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 99.99 111.844 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 33.3 mt-10 -96.48 128.35 43.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.966 -0.561 . . . . 99.99 109.851 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -109.21 116.52 32.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.163 0.506 . . . . 99.99 112.196 -178.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER -125.28 153.46 43.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.543 -0.753 . . . . 99.99 110.382 179.405 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.35 43.83 2.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.622 -0.799 . . . . 99.99 112.936 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -172.79 -41.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.732 0.301 . . . . 99.99 111.171 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 75.0 m -140.98 124.7 16.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 99.99 111.794 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.9 mp -106.6 121.34 59.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.145 -0.48 . . . . 99.99 110.463 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.1 m -115.15 139.62 49.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 99.99 111.482 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.546 ' ND2' ' HG3' ' A' ' 113' ' ' MET . 7.9 t30 -112.95 141.62 46.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 99.99 110.431 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.0 m -119.35 118.63 31.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.746 0.308 . . . . 99.99 111.799 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.553 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 60.8 mtt -124.27 121.33 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 99.99 110.264 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.7 m -126.57 122.28 34.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 99.99 111.445 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.8 tt -128.66 115.08 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.999 -0.546 . . . . 99.99 109.987 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.58 -73.45 1.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 99.99 112.194 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -164.1 16.93 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 99.99 110.643 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mt -105.28 137.58 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 99.99 110.74 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.6 p -104.8 137.38 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.293 0.568 . . . . 99.99 112.359 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.553 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 42.2 t80 -131.18 119.91 22.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.192 -0.913 . . . . 99.99 109.658 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.573 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 48.7 mttm -127.64 129.35 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 99.99 111.353 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -112.4 122.1 46.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 99.99 110.253 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.51 120.72 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 99.99 110.784 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 80.1 p -131.87 132.76 43.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 99.99 111.193 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.24 133.15 51.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.985 -0.552 . . . . 99.99 110.552 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -71.15 143.86 50.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.006 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.2 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 99.99 111.154 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.558 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 42.0 t . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 121.01 0.434 . . . . 1.53 111.353 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.58 156.43 13.27 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.777 -0.647 . . . . 0.54 112.224 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -97.02 130.6 44.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 2.38 110.922 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -134.83 145.38 48.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 1.13 110.919 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 124' ' ' SER . 6.6 tp60 -120.99 128.3 52.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 1.39 111.155 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 37' ' ' GLY . 10.9 m -69.96 142.93 15.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.921 -0.4 . . . . 1.24 109.921 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -129.2 -15.52 4.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.136 0.421 . . . . 2.2 112.136 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -165.73 151.73 9.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.234 0.54 . . . . 1.72 112.209 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 121' ' ' LYS . 6.3 tp-100 -145.35 144.64 30.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.257 -0.883 . . . . 2.01 110.071 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -106.13 139.2 41.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.625 0.25 . . . . 2.39 110.76 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 69.62 136.33 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.232 -0.44 . . . . 1.88 110.759 -179.493 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.584 ' HB3' HG21 ' A' ' 29' ' ' ILE . 97.3 m-85 -145.92 -65.7 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 3.26 111.489 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 19' ' ' MET . 15.2 mm-40 -51.63 -50.13 78.96 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.631 0.604 . . . . 1.96 112.631 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 36.9 Cg_endo -67.29 -40.65 10.64 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 121.426 1.417 . . . . 0.72 112.075 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.482 ' HB2' ' OD1' ' A' ' 14' ' ' ASN . 65.3 t80 -60.1 -52.17 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 1.46 111.465 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.559 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.67 -43.65 92.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 4.48 111.773 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 76.1 mttt -58.49 -42.27 87.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.473 -0.33 . . . . 2.27 111.425 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.17 -22.26 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.375 . . . . 0.85 111.323 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.8 tpt -95.21 -73.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 2.05 111.034 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.98 18.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.893 -0.67 . . . . 0.97 112.24 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' HD2' ' A' ' 25' ' ' PRO . 19.0 tp -91.02 130.66 39.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.418 0.151 . . . . 1.45 110.66 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.576 ' HD2' HD12 ' A' ' 24' ' ' LEU . 68.1 Cg_endo -72.26 132.42 19.37 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.587 2.191 . . . . 0.94 112.385 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 10.5 pt-20 -50.98 -26.74 6.4 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.968 -0.56 . . . . 1.99 111.914 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.99 -45.58 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.764 0.316 . . . . 2.29 111.041 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD13 ' HG2' ' A' ' 25' ' ' PRO . 9.9 mp -68.95 -39.24 79.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 1.65 112.051 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 15' ' ' PHE . 2.7 mp -61.68 -46.34 96.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 111.761 0.282 . . . . 1.27 111.761 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 30.1 mm-40 -54.82 -43.58 73.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.845 0.355 . . . . 1.44 111.144 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -70.02 -32.1 70.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.359 . . . . 2.84 111.703 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.76 -31.6 32.32 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.796 -0.716 . . . . 0.83 114.085 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -66.46 -29.74 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.168 0.484 . . . . 1.82 111.127 -179.22 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -83.22 -7.39 59.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.36 . . . . 1.89 110.755 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.5 mt -114.3 121.07 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.28 111.158 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -73.3 102.29 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 2.58 110.641 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.423 ' O ' HG22 ' A' ' 9' ' ' VAL . . . -59.24 171.38 5.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.944 -0.646 . . . . 0.49 112.665 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.06 145.76 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.386 . . . . 0.8 111.254 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 52' ' ' ILE . 51.0 m -134.33 129.56 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.975 -0.557 . . . . 1.4 110.654 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -131.03 124.78 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 2.16 110.574 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.8 mt -108.7 119.15 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 1.16 111.455 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 48.8 t -108.03 114.75 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 0.52 110.769 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.558 ' H ' ' HB2' ' A' ' 4' ' ' SER . 25.7 t-80 -103.19 116.1 31.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.483 -0.326 . . . . 1.31 110.805 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -138.19 101.44 4.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.315 -0.402 . . . . 2.53 111.465 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 46.17 69.22 0.86 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.101 -0.499 . . . . 1.77 113.663 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 68.44 -20.68 0.14 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.214 0.45 . . . . 3.15 112.214 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 45' ' ' GLY . 50.5 mtmt -90.92 108.43 19.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 2.71 110.536 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.4 t -109.36 128.4 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 1.36 111.445 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -106.76 134.32 50.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 2.54 110.683 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' HB2' ' HE2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -106.1 125.15 50.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.69 110.588 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 71.7 m -120.69 127.43 52.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.63 111.266 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 39' ' ' SER . 46.2 mm -129.54 125.67 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 1.76 110.42 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.7 m -110.52 130.53 55.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.935 0.398 . . . . 1.0 111.881 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -121.5 109.2 14.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.908 -0.587 . . . . 4.18 110.606 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.25 -83.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 2.0 112.709 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.2 p -138.55 15.36 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.697 0.284 . . . . 2.2 111.141 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -111.8 135.5 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 2.51 110.941 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.2 t -109.55 126.68 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 1.38 110.592 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 51' ' ' THR . 50.5 mm -112.65 116.51 52.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 1.6 110.894 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -114.17 136.8 52.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 2.74 111.2 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -139.33 160.4 39.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.108 -0.496 . . . . 1.79 110.834 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -138.01 135.56 36.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 2.01 110.845 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.48 ' HE2' ' HB2' ' A' ' 50' ' ' LEU . 29.7 p90 -148.82 151.83 35.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 1.66 111.295 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' A' ' 67' ' ' GLU . 24.7 m -107.26 127.87 53.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 0.62 111.026 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.48 136.7 58.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.236 -0.438 . . . . 1.57 110.816 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.515 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 62.77 34.86 90.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.8 112.31 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 39.0 tt0 -155.97 128.25 7.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 2.66 111.198 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 42.0 tt0 -74.44 119.19 18.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.173 -0.467 . . . . 1.32 110.776 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.2 t -119.12 157.56 27.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.86 110.667 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -95.72 120.27 35.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 1.71 111.071 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.2 tp -119.27 144.42 46.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 1.91 110.72 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -88.06 146.85 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 2.11 110.731 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.605 HG23 ' H ' ' A' ' 75' ' ' THR . 8.9 t -92.03 177.56 6.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.446 . . . . 1.76 110.308 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 49.0 ttp -66.38 -15.4 63.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.683 0.278 . . . . 3.79 111.043 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.605 ' H ' HG23 ' A' ' 73' ' ' THR . 18.4 p -93.33 -8.51 41.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.454 -0.339 . . . . 2.23 111.166 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.87 -5.08 63.63 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.698 -0.763 . . . . 1.47 112.894 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.48 140.31 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 1.94 111.104 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -91.45 119.29 31.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 2.94 110.805 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.11 148.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 1.06 111.088 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -95.9 133.66 39.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.305 -0.407 . . . . 3.13 110.827 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.75 142.48 27.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.69 111.539 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 4.5 p -114.49 118.81 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 1.4 110.951 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -109.1 122.52 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 1.26 111.056 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.515 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 39.7 mtmt -133.2 151.33 51.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 2.11 110.799 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.1 ptm -98.3 144.25 27.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 2.62 110.438 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -98.33 -12.23 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 2.06 110.83 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.39 -120.16 2.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 1.62 113.027 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.405 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 19.5 t70 -91.68 129.45 37.65 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.071 0.462 . . . . 2.84 110.981 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.602 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 8.6 p30 51.39 12.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.151 -0.931 . . . . 2.22 112.868 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -137.8 125.6 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 2.05 112.092 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.4 mtt -141.39 133.59 27.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.532 -0.758 . . . . 1.96 110.004 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.5 t -112.17 118.15 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.988 0.423 . . . . 1.46 111.765 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.523 HG23 ' HB2' ' A' ' 100' ' ' SER . 5.0 t -134.35 122.98 23.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 0.52 110.366 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.6 m -126.42 140.21 52.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 1.23 111.521 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -138.66 130.37 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.96 110.99 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp 60.16 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.083 -0.508 . . . . 2.52 111.525 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.14 15.58 0.88 Allowed Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.699 -0.762 . . . . 0.83 112.564 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.534 HD12 ' HB3' ' A' ' 115' ' ' LEU . 45.0 mm -104.45 138.04 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 1.45 110.881 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.65 118.25 32.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 2.71 110.425 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.523 ' HB2' HG23 ' A' ' 93' ' ' THR . 57.9 m -122.14 120.98 35.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 1.23 111.282 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.0 t -124.03 121.95 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.59 110.64 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 84.7 m -114.88 128.4 56.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.983 -0.553 . . . . 0.59 111.605 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 39.6 mt-10 -96.46 123.45 40.12 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.848 -0.427 . . . . 2.1 109.848 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.602 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -101.65 117.53 35.08 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.715 0.635 . . . . 0.83 112.715 -178.154 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -124.47 153.17 42.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.523 -0.762 . . . . 1.72 110.413 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.25 39.69 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 1.44 112.772 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -172.74 -29.75 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.67 0.235 . . . . 2.55 111.536 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.4 p -140.9 146.31 37.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.767 0.318 . . . . 1.53 111.583 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.9 mm -125.38 120.49 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 1.54 111.088 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.9 m -115.91 138.11 51.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.166 -0.47 . . . . 0.44 111.225 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 121' ' ' LYS . 28.6 t-20 -121.93 138.67 54.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 1.95 110.586 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' SER . 2.9 m -120.1 120.53 36.51 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.93 0.345 . . . . 0.57 111.93 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.537 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 66.7 mtt -124.57 120.85 33.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 1.51 110.036 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.8 m -121.32 121.05 36.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.056 0.455 . . . . 0.56 111.644 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.534 ' HB3' HD12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -145.2 115.88 7.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.744 -0.662 . . . . 1.85 110.462 179.411 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.26 47.57 83.45 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.608 -0.806 . . . . 1.8 112.744 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.8 t70 67.13 3.11 3.03 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.776 0.287 . . . . 2.23 111.776 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 29.1 mt -87.77 136.72 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.83 111.172 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.8 t -111.72 117.89 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.131 0.491 . . . . 1.35 111.848 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.537 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 21.7 t80 -116.79 118.05 31.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.573 -0.74 . . . . 1.67 109.241 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.465 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 39.2 ttpt -129.26 124.34 34.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.691 0.281 . . . . 2.05 111.679 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -102.4 123.95 47.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.014 0.435 . . . . 2.32 111.067 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.46 120.6 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.717 -0.674 . . . . 0.41 110.376 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 17.3 m -129.71 144.97 51.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.965 0.412 . . . . 1.14 111.574 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -109.06 149.5 29.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.747 -0.66 . . . . 2.04 110.787 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -70.67 138.76 50.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 3.09 111.219 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 pt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 1.31 111.147 179.873 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.771 0.319 . . . . 1.53 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.32 168.04 28.9 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.789 -0.719 . . . . 0.54 112.589 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.556 ' HD2' HD11 ' A' ' 127' ' ' ILE . 17.4 ttmm -110.83 128.68 55.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.35 . . . . 2.38 110.92 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -120.85 141.14 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.13 110.434 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.583 HE21 ' HB3' ' A' ' 36' ' ' LYS . 57.2 tp60 -116.39 127.1 54.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 1.39 111.204 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.72 140.18 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 1.24 110.73 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -129.4 -17.97 3.67 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.452 -0.34 . . . . 2.2 111.819 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 t -167.67 161.4 13.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.988 0.423 . . . . 1.72 111.604 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.01 154.62 42.08 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.879 -0.6 . . . . 2.01 110.703 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -109.01 129.74 55.46 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.643 0.258 . . . . 2.39 111.198 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 66.05 117.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.321 -0.399 . . . . 1.88 111.162 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -121.75 -64.83 1.18 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.979 0.419 . . . . 3.26 111.436 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 34.7 mt-10 -55.27 -46.27 99.72 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 112.779 0.659 . . . . 1.96 112.779 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 61.6 Cg_exo -52.49 -41.26 68.82 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 121.646 1.564 . . . . 0.72 113.14 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.505 ' HD2' HD11 ' A' ' 29' ' ' ILE . 59.8 t80 -58.28 -52.23 66.45 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.556 0.576 . . . . 1.46 112.556 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.685 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 1.9 ppp? -59.82 -36.24 76.38 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.815 0.302 . . . . 4.48 111.815 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 63.8 mttm -61.17 -45.93 92.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.292 0.478 . . . . 2.27 112.292 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.77 -76.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.37 0.507 . . . . 0.85 112.37 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.3 tpp -44.79 -23.39 0.13 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.31 -0.859 . . . . 2.05 112.405 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.89 10.32 58.89 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.437 -0.887 . . . . 0.97 111.17 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.685 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 21.0 tp -74.51 147.1 84.56 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.203 -0.666 . . . . 1.45 109.203 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.532 ' HD2' HD12 ' A' ' 24' ' ' LEU . 91.5 Cg_endo -78.03 128.51 9.16 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.201 1.934 . . . . 0.94 112.097 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.539 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 39.9 tt0 -52.59 -25.99 12.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.361 -0.381 . . . . 1.99 110.984 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.07 -46.71 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.52 -0.309 . . . . 2.29 110.917 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.481 HD13 ' HG2' ' A' ' 25' ' ' PRO . 9.7 mp -66.54 -41.03 89.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 1.65 111.229 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.505 HD11 ' HD2' ' A' ' 18' ' ' PHE . 7.7 mt -63.73 -46.29 94.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 1.27 110.996 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -63.72 -38.61 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.44 110.988 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -67.86 -31.68 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 2.84 110.728 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.16 -49.52 15.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.859 -0.686 . . . . 0.83 112.704 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -60.29 -29.18 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 1.82 111.072 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -68.84 -47.82 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 1.89 110.947 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.58 120.12 37.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 1.28 111.205 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HB3' HE21 ' A' ' 8' ' ' GLN . 45.8 mmtm -59.26 121.44 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.38 -0.373 . . . . 2.58 110.318 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.58 159.06 52.91 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.852 -0.689 . . . . 0.49 112.865 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' ILE . 21.2 t -122.81 136.52 59.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 0.8 110.485 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 52' ' ' ILE . 78.1 p -135.3 130.91 35.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.956 0.408 . . . . 1.4 111.442 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -134.75 126.31 28.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 2.16 110.421 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.9 mt -113.09 125.21 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 1.16 111.817 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -106.51 114.73 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.52 109.445 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -101.44 116.76 33.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.091 0.472 . . . . 1.31 111.842 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.6 101.72 4.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.766 -0.652 . . . . 2.53 110.065 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.41 -102.24 0.25 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.725 -0.75 . . . . 1.77 112.076 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -118.01 -9.07 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 3.15 110.431 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -95.59 111.12 23.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.965 -0.561 . . . . 2.71 110.723 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -115.28 133.58 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 1.36 111.107 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -112.13 133.22 54.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 2.54 110.936 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tt -115.69 126.68 54.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 1.69 110.54 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -118.95 127.44 53.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.63 111.549 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 39' ' ' SER . 45.1 mm -126.45 133.13 69.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 1.76 110.508 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.4 m -118.02 130.72 56.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 1.0 111.563 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -121.22 108.48 13.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.913 -0.585 . . . . 4.18 110.543 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.53 -84.22 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 2.0 112.614 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.6 p -139.99 14.97 2.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.758 0.313 . . . . 2.2 111.118 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -109.77 130.45 55.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.434 -0.348 . . . . 2.51 110.939 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 p -98.89 131.58 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 1.38 110.786 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.4 mt -120.7 115.97 48.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 1.6 110.578 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -113.18 128.5 56.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 2.74 111.22 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -135.38 161.27 35.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.149 -0.478 . . . . 1.79 110.998 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.63 139.88 28.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 2.01 110.369 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.471 ' CD1' HG11 ' A' ' 83' ' ' VAL . 7.8 p90 -148.28 151.76 35.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.01 0.433 . . . . 1.66 111.409 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.4 m -102.76 130.64 49.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.907 -0.588 . . . . 0.62 110.989 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.453 HD13 ' SD ' ' A' ' 85' ' ' MET . 38.7 mt -70.06 136.91 50.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 1.57 111.212 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.67 15.1 79.43 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.981 -0.628 . . . . 0.8 113.15 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -146.71 145.71 30.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.983 0.42 . . . . 2.66 111.381 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -76.62 119.99 21.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.865 -0.607 . . . . 1.32 110.387 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.4 m -118.64 151.04 38.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 1.86 111.044 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -98.77 119.84 38.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 1.71 110.921 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 tp -119.95 146.49 45.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 1.91 110.798 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -85.16 125.15 32.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.493 . . . . 2.11 110.99 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.5 p -75.03 170.61 15.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 1.76 111.207 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -13.11 61.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 3.79 110.84 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.2 p -92.82 -21.31 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 2.23 111.088 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.3 6.83 35.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.873 -0.68 . . . . 1.47 112.219 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -90.28 141.31 28.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 1.94 110.736 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -86.82 121.25 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 2.94 110.844 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.6 m -125.51 150.22 30.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 1.06 111.182 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -113.53 132.68 55.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 3.13 110.45 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 95' ' ' PHE . . . -146.17 143.24 29.15 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.052 0.39 . . . . 0.69 112.052 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.42 117.99 44.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.897 -0.592 . . . . 1.4 110.883 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 63' ' ' PHE . 3.2 p -109.48 119.5 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 1.26 111.219 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' A' ' 84' ' ' LYS . 9.8 mtpm? -118.04 151.5 37.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.23 -0.441 . . . . 2.11 110.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.453 ' SD ' HD13 ' A' ' 65' ' ' LEU . 17.9 ptt? -115.48 139.28 50.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.33 -0.396 . . . . 2.62 110.992 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -105.73 -15.69 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.524 . . . . 2.06 110.183 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.73 18.46 56.61 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.51 -0.768 . . . . 1.62 112.823 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -150.28 75.24 1.23 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.277 . . . . 2.84 111.603 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 2.5 m120 53.73 15.51 0.81 Allowed 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.673 0.62 . . . . 2.22 112.673 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -134.95 130.57 36.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.431 0.634 . . . . 2.05 112.545 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.622 ' HB2' ' HB ' ' A' ' 102' ' ' THR . 96.8 mmm -141.45 124.09 15.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.984 -1.007 . . . . 1.96 109.435 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.0 118.81 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.049 0.452 . . . . 1.46 112.182 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.637 HG23 ' HB2' ' A' ' 100' ' ' SER . 2.6 t -134.19 119.6 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.52 110.349 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 83.2 m -119.48 128.34 53.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.558 -0.292 . . . . 1.23 111.432 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.4 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 39.4 p90 -135.82 131.31 35.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.96 110.973 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 59.41 -85.71 0.02 OUTLIER 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.965 -0.561 . . . . 2.52 111.35 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.67 1.38 0.34 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.853 -0.689 . . . . 0.83 112.387 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 98' ' ' ILE . 3.5 mp -90.19 136.86 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.642 0.258 . . . . 1.45 110.824 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -97.4 120.4 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 2.71 110.806 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.637 ' HB2' HG23 ' A' ' 93' ' ' THR . 70.7 m -121.94 121.25 36.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.161 -0.472 . . . . 1.23 111.139 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 t -120.11 122.6 68.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.09 -0.504 . . . . 0.59 110.486 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.622 ' HB ' ' HB2' ' A' ' 91' ' ' MET . 86.5 m -114.34 128.79 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.422 -0.354 . . . . 0.59 111.812 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 32.6 tt0 -96.5 120.32 36.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.417 -0.586 . . . . 2.1 109.417 178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.571 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -94.92 116.47 28.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.338 0.589 . . . . 0.83 112.533 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 108' ' ' THR . 30.0 m-20 -125.43 153.07 44.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.507 -0.769 . . . . 1.72 110.328 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.35 23.47 6.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.46 -0.876 . . . . 1.44 112.045 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -146.27 -45.07 0.19 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.614 0.245 . . . . 2.55 111.416 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 26.7 m -140.53 126.62 19.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.821 0.343 . . . . 1.53 111.496 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.442 ' N ' HD12 ' A' ' 109' ' ' ILE . 1.8 mp -102.25 120.83 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 1.54 110.628 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.9 m -115.91 139.81 49.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.058 -0.519 . . . . 0.44 111.649 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.675 ' HB3' ' HG2' ' A' ' 122' ' ' ARG . 40.7 t30 -124.06 141.94 51.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.692 0.282 . . . . 1.95 110.791 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 100' ' ' SER . 5.5 m -117.64 123.28 45.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.322 -0.399 . . . . 0.57 111.724 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.477 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 88.8 mtp -124.71 120.74 32.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 1.51 110.099 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 98' ' ' ILE . 37.4 m -113.55 121.51 44.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.379 . . . . 0.56 111.832 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.428 HD13 ' C ' ' A' ' 115' ' ' LEU . 3.2 tm? -144.71 115.86 7.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 1.85 110.135 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.65 43.76 95.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.518 -0.849 . . . . 1.8 112.29 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 67.44 3.24 3.23 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.387 0.275 . . . . 2.23 111.644 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.438 HD13 ' C ' ' A' ' 17' ' ' PRO . 17.2 mt -88.78 137.82 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.83 111.308 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.1 t -107.53 116.64 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.176 0.513 . . . . 1.35 111.307 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.477 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 36.0 t80 -113.39 118.61 35.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.844 -0.798 . . . . 1.67 108.844 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -128.08 129.48 46.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.549 -0.296 . . . . 2.05 111.547 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.675 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 12.0 ptp180 -107.34 133.77 51.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.917 0.389 . . . . 2.32 110.962 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.67 119.84 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.41 110.7 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 80.4 p -131.57 141.38 49.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.438 -0.347 . . . . 1.14 111.247 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -105.77 148.77 27.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.204 -0.453 . . . . 2.04 110.723 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -84.75 126.43 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 3.09 111.174 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.556 HD11 ' HD2' ' A' ' 6' ' ' LYS . 22.4 pt . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.013 -0.54 . . . . 1.31 111.085 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB2' ' HB3' ' A' ' 43' ' ' HIS . 38.7 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.931 0.396 . . . . 1.53 110.424 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.52 177.32 40.84 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.689 -0.767 . . . . 0.54 112.652 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -108.55 129.86 55.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.958 0.409 . . . . 2.38 111.496 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.41 ' HB3' ' HB3' ' A' ' 124' ' ' SER . 25.8 m-85 -118.01 150.02 39.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.836 -0.62 . . . . 1.13 110.125 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -117.5 128.12 54.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.012 0.375 . . . . 1.39 112.012 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.73 117.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.918 -0.583 . . . . 1.24 110.163 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.408 ' HG3' ' NZ ' ' A' ' 125' ' ' LYS . 81.4 mm-40 -93.05 -34.96 13.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.1 0.408 . . . . 2.2 112.1 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.1 p -165.56 168.53 16.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 1.72 111.56 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.51 140.74 30.44 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.873 -0.603 . . . . 2.01 110.573 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.94 131.66 40.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.518 -0.31 . . . . 2.39 111.441 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 63.5 98.09 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.204 -0.453 . . . . 1.88 110.897 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.46 -55.6 2.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 3.26 111.139 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.55 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 44.1 mt-10 -50.85 -50.0 76.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.299 0.481 . . . . 1.96 112.299 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 27.3 Cg_endo -62.8 -40.3 36.9 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 121.918 1.745 . . . . 0.72 112.995 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CA ' HG21 ' A' ' 118' ' ' ILE . 8.0 t80 -67.7 -52.1 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.997 0.427 . . . . 1.46 111.56 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.616 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.72 -43.97 97.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.901 -0.59 . . . . 4.48 112.299 -178.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' N ' ' SD ' ' A' ' 19' ' ' MET . 13.5 tttm -70.55 -38.41 74.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.271 -0.422 . . . . 2.27 111.742 -178.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -9.21 19.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.85 110.836 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.5 tpt -104.39 -67.7 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 2.05 110.812 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.75 6.66 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.948 -0.644 . . . . 0.97 112.25 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.616 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 18.6 tp -83.41 129.22 61.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 110.575 -0.157 . . . . 1.45 110.575 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.624 ' O ' HD12 ' A' ' 29' ' ' ILE . 71.6 Cg_endo -75.11 129.29 12.11 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.429 2.086 . . . . 0.94 112.163 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.517 ' HA ' HD13 ' A' ' 29' ' ' ILE . 13.7 pt-20 -48.88 -25.74 2.07 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.127 -0.488 . . . . 1.99 112.018 -178.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.61 -47.56 83.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.8 0.334 . . . . 2.29 110.741 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.596 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.1 mp -69.48 -37.88 77.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.465 . . . . 1.65 111.647 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 25' ' ' PRO . 3.7 mp -62.28 -43.21 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.616 -0.266 . . . . 1.27 111.275 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.64 -46.6 89.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 1.44 111.412 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.81 -31.39 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 2.84 111.471 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.48 -34.97 30.51 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.841 -0.695 . . . . 0.83 113.431 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.94 -25.09 61.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.908 0.354 . . . . 1.82 111.057 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.67 -29.99 71.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.89 110.806 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.3 mt -102.45 122.67 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.28 110.961 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -59.34 122.26 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 2.58 110.871 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.59 159.33 34.7 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.821 -0.704 . . . . 0.49 112.519 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 52' ' ' ILE . 21.9 t -122.34 133.72 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.715 0.293 . . . . 0.8 110.765 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 m -135.19 135.95 41.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.353 -0.385 . . . . 1.4 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -134.86 129.65 34.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 2.16 110.795 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.422 HD12 HD21 ' A' ' 50' ' ' LEU . 4.0 mm -110.74 118.65 57.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.905 0.383 . . . . 1.16 111.359 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 49' ' ' LYS . 46.9 t -107.85 123.09 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.691 -0.686 . . . . 0.52 110.227 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 4' ' ' SER . 15.2 t-80 -107.56 116.18 31.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 1.31 111.62 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -137.62 102.01 4.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.984 -0.553 . . . . 2.53 110.33 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.58 -105.3 0.79 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.643 -0.789 . . . . 1.77 111.996 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HG3' ' HD3' ' A' ' 47' ' ' LYS . 16.1 ptpt -118.78 -8.15 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 3.15 110.465 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HD3' ' HG3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -96.56 116.29 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 2.71 110.437 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 63' ' ' PHE . 10.1 p -105.39 136.81 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 1.36 111.086 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.551 ' HB2' ' HB ' ' A' ' 42' ' ' VAL . 7.6 mtpm? -109.32 123.61 49.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.159 -0.473 . . . . 2.54 110.654 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.422 HD21 HD12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -112.9 123.48 50.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 1.69 110.444 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.5 m -125.34 127.13 46.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.317 -0.401 . . . . 0.63 111.241 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 58.3 mt -128.9 123.99 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.848 -0.615 . . . . 1.76 110.154 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.5 m -111.46 129.89 55.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.002 0.429 . . . . 1.0 111.777 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -121.57 109.15 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.721 -0.672 . . . . 4.18 110.772 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.37 -83.86 0.13 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.794 -0.717 . . . . 2.0 112.732 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.4 t -138.96 16.48 2.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.33 . . . . 2.2 111.139 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -115.35 133.0 56.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 2.51 110.907 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.8 t -109.33 126.51 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.38 110.636 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.2 mm -113.08 116.51 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.6 110.968 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -112.84 131.98 55.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.181 -0.463 . . . . 2.74 111.348 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 71' ' ' LEU . 19.6 m120 -152.46 122.58 7.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 1.79 110.705 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -115.38 143.33 45.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 2.01 110.706 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.518 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -147.1 150.8 35.74 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.085 0.469 . . . . 1.66 111.27 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 46.0 m -97.37 131.09 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 0.62 111.227 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -57.5 140.44 50.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 1.57 110.913 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 60.32 48.5 85.84 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.849 -0.691 . . . . 0.8 112.678 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -167.21 143.87 4.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.804 0.335 . . . . 2.66 111.096 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.9 119.76 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.32 110.925 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.7 m -118.54 157.4 27.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.416 . . . . 1.86 110.729 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -116.64 119.93 37.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 1.71 111.161 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.428 ' HB2' ' ND2' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -120.06 145.76 46.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.037 -0.529 . . . . 1.91 110.859 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.41 127.78 34.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.772 -0.649 . . . . 2.11 110.743 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.0 p -84.88 178.05 7.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.042 -0.526 . . . . 1.76 111.168 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -62.98 -37.21 86.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 3.79 110.51 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.4 p -64.77 -18.27 64.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.025 -0.534 . . . . 2.23 110.974 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.49 -3.96 61.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.958 -0.639 . . . . 1.47 111.94 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.13 143.55 33.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 1.94 110.827 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -92.5 119.39 31.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 2.94 110.964 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.73 139.09 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 1.06 111.457 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -107.87 132.85 53.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 3.13 110.876 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.67 146.98 30.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.395 . . . . 0.69 111.953 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.33 119.71 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.942 -0.572 . . . . 1.4 110.533 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 p -108.97 122.52 63.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.205 -0.452 . . . . 1.26 111.185 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 42.3 mtpt -134.52 151.21 50.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.461 . . . . 2.11 110.691 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 ptm -101.37 135.79 42.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 2.62 110.742 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -89.89 -15.47 32.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.964 0.412 . . . . 2.06 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.83 -118.74 2.13 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.734 -0.746 . . . . 1.62 113.085 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.39 123.2 46.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.032 0.444 . . . . 2.84 111.47 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.501 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 15.4 m120 73.17 -3.54 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.11 -0.95 . . . . 2.22 112.505 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.74 130.11 45.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.587 . . . . 2.05 112.316 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 23.8 mmt -140.45 136.74 33.32 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.203 -0.908 . . . . 1.96 109.519 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.96 119.71 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.2 0.524 . . . . 1.46 112.278 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 100' ' ' SER . 4.6 t -133.83 132.8 40.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.52 110.51 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.5 m -121.49 126.39 49.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.648 0.261 . . . . 1.23 111.472 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -138.64 136.68 36.15 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.247 -0.433 . . . . 0.96 111.051 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 52.82 -94.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.086 -0.506 . . . . 2.52 111.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.61 -6.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.97 -0.634 . . . . 0.83 112.133 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 82.4 mt -89.69 137.77 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 1.45 110.665 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -97.13 127.03 42.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 2.71 110.944 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.495 ' HB3' HG23 ' A' ' 93' ' ' THR . 39.6 t -121.7 120.48 34.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 1.23 111.096 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.0 t -116.2 122.97 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.59 109.832 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.2 m -113.62 128.14 56.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.963 0.411 . . . . 0.59 112.077 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 35.4 tt0 -96.15 122.95 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.738 -0.838 . . . . 2.1 108.738 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -105.9 117.03 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.168 0.509 . . . . 0.83 112.344 -178.312 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -125.85 153.73 43.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.825 -0.625 . . . . 1.72 110.241 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.39 40.27 1.74 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.614 -0.803 . . . . 1.44 112.877 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.35 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.66 0.266 . . . . 2.55 111.357 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.5 p -141.2 145.73 36.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.817 0.342 . . . . 1.53 111.585 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.1 mt -124.2 123.25 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 1.54 110.74 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 m -112.93 139.0 48.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.44 111.072 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -121.49 135.08 55.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.408 . . . . 1.95 110.794 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -119.53 117.5 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.57 111.526 -179.579 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.57 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 64.0 mtt -123.64 120.6 33.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 1.51 109.833 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 97.6 m -121.42 121.93 38.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.863 0.363 . . . . 0.56 111.395 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -132.51 116.38 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 1.85 110.468 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.72 -77.16 0.95 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.632 -0.794 . . . . 1.8 111.734 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -155.85 4.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 2.23 111.09 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 17' ' ' PRO . 3.3 mm -89.29 137.47 21.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 111.893 0.331 . . . . 0.83 111.893 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -105.52 120.45 56.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 1.35 111.001 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.57 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 45.5 t80 -114.12 119.34 36.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 1.67 110.755 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -129.4 123.99 33.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 2.05 110.943 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -108.21 129.42 55.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.392 . . . . 2.32 111.023 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.69 119.81 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 0.41 110.431 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' A' ' 7' ' ' TYR . 19.4 m -131.24 148.54 52.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 1.14 111.385 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.408 ' NZ ' ' HG3' ' A' ' 10' ' ' GLN . 5.6 ptpp? -128.46 146.07 50.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.929 -0.578 . . . . 2.04 110.709 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -72.14 135.26 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 3.09 111.056 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 30.4 pt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 1.31 111.041 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.748 0.308 . . . . 1.53 111.127 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.46 151.7 9.1 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.933 -0.651 . . . . 0.54 112.253 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HE3' HD11 ' A' ' 127' ' ' ILE . 61.9 tttp -94.54 118.86 32.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 2.38 111.077 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -117.14 146.82 42.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.916 -0.584 . . . . 1.13 110.248 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 124' ' ' SER . 7.5 tp60 -122.38 128.25 50.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.861 0.363 . . . . 1.39 111.866 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.586 HG22 ' HE ' ' A' ' 122' ' ' ARG . 47.2 t -70.76 127.87 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.945 -0.57 . . . . 1.24 109.995 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -104.45 -30.38 10.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.132 0.419 . . . . 2.2 112.132 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.1 p -166.38 164.04 17.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.202 0.525 . . . . 1.72 111.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 121' ' ' LYS . 4.5 tp-100 -145.58 147.62 32.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.464 -0.789 . . . . 2.01 110.228 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -97.58 127.39 43.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.555 -0.293 . . . . 2.39 110.747 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 67.81 145.48 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.331 -0.395 . . . . 1.88 111.002 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -146.71 -57.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.056 0.455 . . . . 3.26 111.347 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 42.3 mt-10 -54.21 -50.09 86.6 Favored Pre-proline 0 CA--C 1.535 0.373 0 N-CA-C 112.767 0.655 . . . . 1.96 112.767 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 51.3 Cg_endo -68.19 -42.5 5.72 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.608 1.539 . . . . 0.72 113.62 -178.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.18 -51.81 61.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.906 0.384 . . . . 1.46 111.173 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.605 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 26.5 mmt -63.72 -43.09 97.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.931 -0.577 . . . . 4.48 111.657 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -59.2 -41.63 88.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.749 0.309 . . . . 2.27 110.687 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.39 -22.23 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.85 110.319 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.0 tpt -89.6 -75.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.779 -0.646 . . . . 2.05 110.596 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.02 39.19 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.835 -0.62 . . . . 0.97 112.302 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 14.2 tp -115.64 134.82 22.61 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.48 0.181 . . . . 1.45 110.87 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HG2' HD13 ' A' ' 28' ' ' LEU . 74.0 Cg_endo -73.93 135.64 21.57 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.632 2.222 . . . . 0.94 112.906 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.771 ' HA ' HD12 ' A' ' 29' ' ' ILE . 45.1 mt-10 -52.07 -33.45 39.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 1.99 111.816 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.11 -48.58 79.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.663 0.268 . . . . 2.29 111.222 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.1 mp -70.62 -37.38 73.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.293 -0.412 . . . . 1.65 111.387 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 26' ' ' GLU . 30.9 mt -60.67 -46.78 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 1.27 112.192 -178.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 29.9 mm-40 -60.4 -42.39 95.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.741 0.305 . . . . 1.44 111.178 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -69.28 -32.37 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 2.84 111.21 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.46 -47.22 22.78 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.849 -0.691 . . . . 0.83 112.932 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -61.75 -31.34 71.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.763 0.316 . . . . 1.82 111.102 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.81 -21.01 65.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 1.89 110.669 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -111.87 123.5 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 1.28 111.015 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -59.66 114.62 2.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 2.58 110.644 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.76 156.21 13.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.717 . . . . 0.49 112.731 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.6 t -122.2 133.05 69.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.699 0.285 . . . . 0.8 110.714 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 m -136.07 134.62 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.935 0.397 . . . . 1.4 111.408 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -134.86 134.85 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 2.16 110.129 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mt -123.16 119.09 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.986 0.422 . . . . 1.16 112.127 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -108.03 114.3 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.52 109.562 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -115.98 116.61 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.026 0.441 . . . . 1.31 111.822 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -137.82 102.0 4.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.855 -0.611 . . . . 2.53 110.909 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 64.72 57.59 12.12 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.887 -0.673 . . . . 1.77 113.006 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 mttp 66.78 -8.96 0.37 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.808 0.299 . . . . 3.15 111.808 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' GLY . 79.3 tttt -91.01 108.54 19.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.02 -0.363 . . . . 2.71 110.02 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 63' ' ' PHE . 9.1 p -107.39 142.31 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.419 0.526 . . . . 1.36 112.419 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -126.76 123.97 38.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.519 -0.764 . . . . 2.54 109.595 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 51' ' ' THR . 1.7 tt -111.35 130.45 55.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.911 0.386 . . . . 1.69 111.221 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.502 ' N ' HD23 ' A' ' 50' ' ' LEU . 49.0 m -122.44 126.78 48.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.63 110.982 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.5 mt -127.38 126.51 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.534 . . . . 1.76 110.59 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.9 m -117.12 131.03 56.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 1.0 111.796 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -120.86 109.12 14.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.904 -0.589 . . . . 4.18 110.559 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.85 -84.74 0.11 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.699 -0.763 . . . . 2.0 112.65 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -137.19 19.14 2.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.782 0.325 . . . . 2.2 111.107 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -115.23 123.76 49.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 2.51 111.147 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.1 t -99.63 126.79 52.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.38 110.733 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.8 mm -116.25 117.78 56.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 1.6 111.049 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -106.37 140.01 39.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.003 -0.544 . . . . 2.74 111.262 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -147.63 156.68 43.04 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.244 -0.435 . . . . 1.79 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -145.61 130.29 18.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.25 -0.432 . . . . 2.01 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.517 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -134.13 152.72 51.96 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.035 0.445 . . . . 1.66 111.309 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.5 m -111.66 116.07 30.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.831 -0.622 . . . . 0.62 109.441 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.1 pp -48.26 146.35 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.973 0.416 . . . . 1.57 111.736 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 56.15 26.9 50.84 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.897 -0.592 . . . . 0.8 112.97 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -143.89 148.09 34.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.78 0.324 . . . . 2.66 110.968 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -88.45 124.28 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 1.32 110.84 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' HD21 ' A' ' 71' ' ' LEU . 22.2 p -125.6 157.71 36.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 1.86 111.009 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.59 127.37 41.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 1.71 110.809 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 71' ' ' LEU . 2.8 mm? -118.01 142.99 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 1.91 111.285 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.02 126.33 34.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.575 -0.738 . . . . 2.11 110.726 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.6 p -80.46 175.93 10.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 1.76 111.188 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -69.82 -26.01 64.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 3.79 110.893 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.7 p -83.36 -45.23 13.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 2.23 111.252 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.61 0.58 3.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.866 -0.683 . . . . 1.47 112.19 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -79.89 142.03 35.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 1.94 111.08 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.6 119.52 29.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 2.94 110.778 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.3 m -116.7 150.72 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 1.06 111.273 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -105.55 128.86 53.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 3.13 110.597 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.39 142.35 28.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.69 111.934 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.6 120.95 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 1.4 110.784 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 63' ' ' PHE . 7.4 p -97.15 122.06 48.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 1.26 110.129 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -128.99 140.23 51.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.206 -0.452 . . . . 2.11 110.808 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.86 140.25 34.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 2.62 110.62 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -90.91 -10.18 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 2.06 110.795 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.96 -109.14 0.72 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.82 -0.705 . . . . 1.62 112.963 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 17.4 t70 -111.69 122.69 48.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.955 0.407 . . . . 2.84 111.382 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 59.4 t30 74.15 -5.01 2.15 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.374 -0.83 . . . . 2.22 112.185 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.95 131.4 45.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.232 0.539 . . . . 2.05 112.056 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.2 ttm -141.71 130.44 22.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.395 -0.82 . . . . 1.96 109.83 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.66 118.69 59.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.19 0.519 . . . . 1.46 111.97 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.529 HG23 ' OG ' ' A' ' 100' ' ' SER . 1.2 t -134.39 142.06 47.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.679 -0.691 . . . . 0.52 110.654 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.7 p -126.56 129.46 48.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.681 -0.236 . . . . 1.23 111.471 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -139.21 126.64 21.61 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.821 0.343 . . . . 0.96 111.828 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HB3' HD13 ' A' ' 98' ' ' ILE . 36.9 ttpt 57.94 21.01 7.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.079 -0.509 . . . . 2.52 111.747 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 91.48 -5.36 80.42 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.647 -0.787 . . . . 0.83 112.648 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 98' ' ' ILE . 3.6 mp -89.72 138.28 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.994 -0.373 . . . . 1.45 109.994 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -96.82 122.6 39.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.047 0.451 . . . . 2.71 111.248 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.565 ' HA ' ' O ' ' A' ' 112' ' ' THR . 4.6 p -121.62 120.12 33.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.52 -0.764 . . . . 1.23 109.879 178.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.421 HG12 ' OE1' ' A' ' 103' ' ' GLU . 33.8 t -112.78 122.46 66.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.423 . . . . 0.59 110.921 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.0 m -114.5 129.97 56.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.974 -0.557 . . . . 0.59 111.657 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -96.09 127.85 42.46 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.084 -0.507 . . . . 2.1 109.642 178.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.78 115.74 30.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.223 0.535 . . . . 0.83 112.165 -178.811 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.478 ' C ' ' H ' ' A' ' 107' ' ' ASP . 95.1 m-20 -126.29 154.43 43.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.687 -0.688 . . . . 1.72 109.998 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.96 24.51 0.42 Allowed Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.528 -0.844 . . . . 1.44 112.908 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 105' ' ' ASN . 2.8 p30 -166.72 -21.63 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.951 0.375 . . . . 2.55 111.937 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.47 ' CG2' HD21 ' A' ' 105' ' ' ASN . 12.5 t -141.0 146.1 36.81 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.656 0.613 . . . . 1.53 112.656 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.38 123.39 32.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.642 -0.708 . . . . 1.54 110.5 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.3 m -115.27 139.63 49.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.44 111.321 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -115.49 132.85 56.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 1.95 110.958 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 100' ' ' SER . 2.9 m -120.04 118.96 32.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.295 -0.411 . . . . 0.57 111.156 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.415 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 67.0 mtt -123.26 121.68 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.753 0.311 . . . . 1.51 110.504 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 35.4 m -114.53 122.87 47.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.916 0.388 . . . . 0.56 111.627 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 115' ' ' LEU . 2.4 tm? -129.75 115.56 17.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.975 -0.557 . . . . 1.85 109.896 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.59 -85.26 0.11 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 1.8 112.155 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -148.72 20.78 1.02 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.359 . . . . 2.23 110.494 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.1 mt -106.48 137.72 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.83 111.326 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.8 t -105.45 123.7 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.107 0.48 . . . . 1.35 111.438 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.415 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 29.5 t80 -118.3 118.8 32.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.688 -0.687 . . . . 1.67 109.784 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.473 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 39.2 ttpt -128.56 123.46 33.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.808 0.337 . . . . 2.05 111.279 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.586 ' HE ' HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -105.48 125.95 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 2.32 111.182 -179.661 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.99 118.73 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.94 -0.573 . . . . 0.41 110.682 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 90.9 p -134.28 139.88 46.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.884 0.373 . . . . 1.14 111.086 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.38 149.01 42.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 2.04 110.809 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -72.26 120.38 17.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 3.09 110.994 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.404 HD11 ' HE3' ' A' ' 6' ' ' LYS . 46.2 pt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.031 -0.531 . . . . 1.31 111.126 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.4 p . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.831 0.348 . . . . 1.53 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.02 156.62 8.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.837 -0.697 . . . . 0.54 112.313 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.46 ' HB3' ' HZ3' ' A' ' 6' ' ' LYS . 6.1 ttpm? -105.77 129.75 53.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 2.38 110.715 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.516 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 5.7 m-85 -135.53 125.27 25.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 1.13 110.448 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -102.07 140.47 36.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.136 0.494 . . . . 1.39 110.056 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.513 ' HB ' ' H ' ' A' ' 37' ' ' GLY . 64.6 t -68.32 143.97 14.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.541 -0.299 . . . . 1.24 110.469 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -115.91 -55.15 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.359 . . . . 2.2 111.891 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.6 t -148.95 168.68 22.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.132 0.491 . . . . 1.72 111.619 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 121' ' ' LYS . 6.1 tp-100 -141.26 137.39 32.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.68 -0.691 . . . . 2.01 110.732 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' HB3' ' A' ' 121' ' ' LYS . 12.0 pt-20 -103.91 140.64 37.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.384 -0.371 . . . . 2.39 110.839 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 56.34 78.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.5 -0.318 . . . . 1.88 110.651 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -109.56 -39.01 5.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.275 -0.42 . . . . 3.26 110.83 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 19' ' ' MET . 43.2 mt-10 -51.14 -46.85 88.76 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.108 -0.497 . . . . 1.96 111.799 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 57.7 Cg_endo -71.81 -34.09 9.27 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.579 1.519 . . . . 0.72 111.504 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.7 -52.03 66.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.639 -0.71 . . . . 1.46 110.941 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.733 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.92 -37.12 75.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 4.48 111.033 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HG3' ' HE3' ' A' ' 19' ' ' MET . 65.0 mttm -64.34 -44.04 92.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 2.27 111.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.41 -69.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.85 111.599 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.9 tpt -50.35 -25.92 4.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.664 . . . . 2.05 111.715 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.38 8.02 47.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.638 -0.792 . . . . 0.97 111.891 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.856 HD12 ' HD2' ' A' ' 25' ' ' PRO . 2.8 tp -75.32 142.57 75.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.364 . . . . 1.45 110.362 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.856 ' HD2' HD12 ' A' ' 24' ' ' LEU . 67.8 Cg_endo -78.45 132.06 10.93 Favored 'Trans proline' 0 N--CA 1.474 0.345 0 C-N-CA 123.242 2.628 . . . . 0.94 113.114 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 12.9 pt-20 -54.32 -28.08 40.14 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.429 -0.351 . . . . 1.99 110.506 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.0 -47.17 83.81 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.241 -0.436 . . . . 2.29 110.325 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 3.4 mm? -63.22 -35.9 81.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.65 110.132 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.642 HD11 ' HB3' ' A' ' 19' ' ' MET . 13.0 mt -57.52 -48.4 83.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.994 -0.548 . . . . 1.27 110.727 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 62.8 mm-40 -58.89 -43.92 91.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 1.44 111.156 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -69.35 -31.57 70.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 2.84 111.572 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.32 -23.83 46.27 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.818 -0.706 . . . . 0.83 113.728 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 22.3 ptmt -77.48 -34.6 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.248 0.524 . . . . 1.82 111.613 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.1 -14.04 56.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.538 -0.301 . . . . 1.89 111.415 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.8 mm -114.04 136.94 48.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 1.28 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -78.33 145.69 35.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 2.58 109.988 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.577 ' O ' ' HB2' ' A' ' 8' ' ' GLN . . . -95.61 171.97 29.59 Favored Glycine 0 C--O 1.223 -0.589 0 C-N-CA 120.308 -0.948 . . . . 0.49 111.306 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 t -134.96 132.2 53.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 117.336 0.568 . . . . 0.8 110.969 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 t -136.35 140.25 43.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.546 . . . . 1.4 110.869 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -135.32 126.73 28.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.087 -0.506 . . . . 2.16 110.124 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mt -112.54 119.49 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 1.16 111.791 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.24 114.24 45.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 0.52 109.93 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -98.99 115.69 29.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.102 0.477 . . . . 1.31 111.45 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -137.51 101.44 4.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 2.53 110.515 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.85 -117.73 8.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.718 -0.753 . . . . 1.77 112.375 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -105.8 -12.23 15.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.306 . . . . 3.15 110.933 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -100.86 130.61 46.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.931 0.396 . . . . 2.71 110.948 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.99 126.36 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 1.36 111.094 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -94.43 123.89 38.12 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.261 -0.427 . . . . 2.54 110.598 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.5 tp -114.63 123.8 50.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 1.69 110.913 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 62.7 m -125.33 126.96 45.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.63 111.266 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.65 129.03 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 1.76 110.243 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.4 m -118.92 130.3 55.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.029 0.442 . . . . 1.0 111.9 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -121.47 109.18 14.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.736 -0.665 . . . . 4.18 110.378 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.68 -82.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.674 -0.774 . . . . 2.0 112.31 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 t -142.69 16.22 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 2.2 111.324 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.456 ' HE3' HD11 ' A' ' 59' ' ' ILE . 42.7 tttp -108.19 127.84 54.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 2.51 110.792 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.8 t -99.3 126.32 52.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 1.38 110.97 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.456 HD11 ' HE3' ' A' ' 57' ' ' LYS . 49.6 mm -113.85 116.23 52.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.985 -0.552 . . . . 1.6 110.565 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -116.42 135.44 53.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.316 -0.402 . . . . 2.74 111.229 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -148.28 161.64 41.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.83 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -144.96 139.0 27.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.242 -0.435 . . . . 2.01 110.669 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -148.44 151.4 35.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.958 0.409 . . . . 1.66 111.731 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.0 m -99.76 131.15 45.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.814 -0.63 . . . . 0.62 110.831 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.12 119.25 16.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 1.57 110.97 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.76 -10.66 62.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.874 -0.679 . . . . 0.8 112.679 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -123.19 157.83 32.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 2.66 110.961 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 36.4 tt0 -86.84 119.2 26.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 1.32 110.619 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.5 t -111.58 157.21 20.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 1.86 110.609 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' C ' HD22 ' A' ' 71' ' ' LEU . 34.7 tt0 -98.49 120.55 39.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 1.71 110.876 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 71' ' ' LEU . 3.3 mm? -116.46 134.16 55.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.136 0.493 . . . . 1.91 110.953 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 78' ' ' LYS . 6.1 tt0 -85.66 124.28 32.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.717 -0.674 . . . . 2.11 110.483 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -73.47 170.87 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.76 111.257 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.0 ttt -60.87 -32.2 71.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 3.79 110.895 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.0 p -62.55 -45.58 92.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 2.23 111.084 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.84 -13.42 4.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.988 -0.625 . . . . 1.47 111.896 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -89.28 124.99 34.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.785 0.326 . . . . 1.94 110.759 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -84.79 141.29 30.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.126 -0.488 . . . . 2.94 111.363 179.632 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.3 m -129.87 159.86 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 1.06 111.033 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -94.38 128.79 41.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 3.13 111.09 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -144.71 141.89 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.853 -0.612 . . . . 0.69 110.892 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 5.3 p -114.02 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.085 0.469 . . . . 1.4 111.219 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.23 122.88 64.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.77 -0.65 . . . . 1.26 110.619 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -130.17 151.71 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 2.11 111.01 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.28 143.39 26.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 2.62 110.359 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -101.33 -21.08 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 2.06 111.191 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.24 -103.7 0.34 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.383 -0.913 . . . . 1.62 113.657 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 17.2 t70 -106.47 121.35 44.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 2.84 111.684 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.588 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 0.4 OUTLIER 57.94 13.82 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.984 -0.553 . . . . 2.22 112.311 178.543 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 12.8 mmtt -135.16 126.04 27.5 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.278 -0.569 . . . . 2.05 112.445 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 43.4 mtt -141.78 131.4 24.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.452 -0.794 . . . . 1.96 110.204 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.4 p -114.23 119.6 61.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.199 0.524 . . . . 1.46 112.052 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 100' ' ' SER . 2.8 t -133.99 126.79 30.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.654 -0.703 . . . . 0.52 110.38 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.6 m -125.61 137.21 53.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.838 0.351 . . . . 1.23 111.713 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -138.71 129.31 26.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.042 -0.526 . . . . 0.96 110.919 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 60.66 -87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.044 -0.525 . . . . 2.52 111.341 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.88 21.82 0.9 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.787 -0.72 . . . . 0.83 112.482 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 93.8 mt -110.14 138.73 36.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.687 0.279 . . . . 1.45 110.683 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -95.62 118.68 32.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 2.71 110.734 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.574 ' HB3' HG23 ' A' ' 93' ' ' THR . 44.7 t -121.47 120.43 34.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.1 -0.5 . . . . 1.23 110.906 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 52.4 t -123.83 122.3 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.59 110.448 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.8 m -114.49 129.98 56.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.59 111.655 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 21.7 tt0 -96.01 120.74 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.944 -0.762 . . . . 2.1 108.944 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.588 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -98.47 115.76 29.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.269 0.84 . . . . 0.83 113.269 -177.448 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.532 ' H ' HD13 ' A' ' 109' ' ' ILE . 49.7 m-20 -126.2 153.11 45.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.404 -0.816 . . . . 1.72 109.774 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.98 20.42 6.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.325 -0.94 . . . . 1.44 112.555 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -148.79 -34.98 0.2 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.625 0.231 . . . . 2.55 111.625 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 66.8 m -140.89 126.05 18.46 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.943 0.402 . . . . 1.53 111.514 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.532 HD13 ' H ' ' A' ' 105' ' ' ASN . 40.9 mm -108.27 121.66 61.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.064 -0.516 . . . . 1.54 110.993 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.5 m -115.32 137.89 51.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.44 111.484 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 121' ' ' LYS . 29.2 m-80 -120.95 135.69 55.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 1.95 110.43 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 100' ' ' SER . 3.7 m -120.1 116.54 25.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.57 111.614 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.555 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 57.6 mtt -124.82 120.43 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 1.51 109.93 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 45.5 m -120.53 120.9 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.56 111.814 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 115' ' ' LEU . 1.5 pt? -145.18 116.08 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.696 -0.683 . . . . 1.85 110.453 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 70.16 45.38 56.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.64 -0.79 . . . . 1.8 112.53 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.5 t70 66.31 3.58 2.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.64 0.257 . . . . 2.23 111.615 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 21.3 mt -87.28 137.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.83 111.139 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.3 t -109.28 117.7 55.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 1.35 111.298 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.555 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 31.1 t80 -113.26 119.23 37.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 1.67 110.091 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.47 ' HB3' ' HG2' ' A' ' 13' ' ' GLU . 40.8 ttmt -129.09 123.48 32.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 2.05 111.209 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -106.05 122.95 47.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 2.32 110.897 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.2 t -106.21 118.82 54.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.41 110.537 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.9 p -127.4 147.32 50.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.203 -0.453 . . . . 1.14 110.603 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 7' ' ' TYR . 24.0 mtpp -106.23 148.63 27.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.351 . . . . 2.04 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -86.98 119.66 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.381 -0.372 . . . . 3.09 110.251 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 8.6 pt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 1.31 111.151 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.536 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 38.6 t . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 121.013 0.435 . . . . 1.53 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.28 166.19 14.3 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.724 -0.671 . . . . 0.54 112.134 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HG2' ' HG2' ' A' ' 40' ' ' GLU . 12.7 tmtt? -99.87 131.86 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 2.38 110.475 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.61 150.14 50.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 1.13 110.142 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 124' ' ' SER . 2.8 tp-100 -118.55 114.58 23.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.901 0.334 . . . . 1.39 111.901 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 122' ' ' ARG . 49.0 t -69.54 117.4 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.478 -0.564 . . . . 1.24 109.478 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -89.43 -63.07 1.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.882 0.327 . . . . 2.2 111.882 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -147.18 168.19 22.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.371 . . . . 1.72 111.439 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 121' ' ' LYS . 0.4 OUTLIER -145.28 134.57 22.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.955 -0.566 . . . . 2.01 110.724 -179.729 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 12.9 pt-20 -106.06 151.62 24.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 2.39 110.722 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.757 HD22 HG22 ' A' ' 118' ' ' ILE . 0.7 OUTLIER 92.24 18.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.108 0.88 . . . . 1.88 111.35 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.52 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.6 OUTLIER -64.69 -49.24 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.431 -0.349 . . . . 3.26 111.845 -179.591 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 19' ' ' MET . 46.8 mt-10 -54.76 -50.71 84.34 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.271 0.471 . . . . 1.96 112.271 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 55.9 Cg_endo -71.81 -40.48 2.7 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 121.917 1.745 . . . . 0.72 113.178 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -64.37 -41.04 96.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.774 0.321 . . . . 1.46 111.48 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.736 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.74 -37.92 89.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 4.48 111.468 -179.512 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -70.52 -43.92 68.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.779 0.324 . . . . 2.27 110.785 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -69.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.85 111.647 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.0 tpp -51.91 -47.48 64.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.701 -0.681 . . . . 2.05 111.759 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.03 6.07 3.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.232 -0.985 . . . . 0.97 112.737 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.736 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 26.0 tp -74.77 144.13 79.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.242 -0.651 . . . . 1.45 109.242 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.598 ' HG2' HD13 ' A' ' 28' ' ' LEU . 3.8 Cg_endo -95.28 136.77 0.73 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.341 2.694 . . . . 0.94 112.11 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' HE22 ' A' ' 30' ' ' GLN . 2.6 mt-10 -51.53 -30.67 21.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 1.99 110.673 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -54.38 -43.91 71.8 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.291 -0.633 . . . . 2.29 109.291 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.0 mp -69.69 -35.24 74.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.413 -0.812 . . . . 1.65 110.06 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 19' ' ' MET . 38.0 mt -58.3 -48.72 84.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-N 115.943 -0.571 . . . . 1.27 111.493 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.549 HE22 ' HB3' ' A' ' 26' ' ' GLU . 1.3 mp0 -63.26 -41.32 99.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 1.44 111.41 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -69.5 -31.52 69.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.434 -0.348 . . . . 2.84 111.157 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.32 -37.4 24.52 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 121.033 -0.603 . . . . 0.83 113.625 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -62.38 -25.66 68.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.075 0.437 . . . . 1.82 111.061 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -89.89 -25.22 21.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.412 -0.358 . . . . 1.89 110.868 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.7 mm -102.43 116.67 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 1.28 111.221 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -80.28 107.47 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.394 . . . . 2.58 110.593 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.41 164.59 6.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.879 -0.677 . . . . 0.49 112.758 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' HB ' ' HB ' ' A' ' 53' ' ' THR . 12.1 t -122.0 138.91 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 0.8 110.469 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m -127.16 123.42 36.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.039 0.447 . . . . 1.4 111.495 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' A' ' 6' ' ' LYS . 37.5 mt-10 -134.21 124.73 26.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.69 -0.686 . . . . 2.16 109.659 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.409 HG12 ' HG ' ' A' ' 50' ' ' LEU . 7.3 mt -125.85 127.5 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 1.16 111.912 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 t -106.98 114.79 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.52 110.046 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.536 ' H ' ' HB2' ' A' ' 4' ' ' SER . 39.3 t-80 -105.49 116.86 32.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.906 0.384 . . . . 1.31 111.142 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -137.71 101.74 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.935 -0.575 . . . . 2.53 110.508 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.56 -100.01 0.51 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.799 -0.715 . . . . 1.77 112.285 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -120.68 -13.07 8.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.83 0.348 . . . . 3.15 110.67 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -93.45 114.3 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 2.71 110.667 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.3 t -120.72 124.37 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 1.36 111.383 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -101.49 130.08 47.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.54 . . . . 2.54 110.673 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HG ' HG12 ' A' ' 41' ' ' ILE . 5.0 tt -120.81 121.55 38.39 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.936 -0.394 . . . . 1.69 109.936 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.8 m -127.58 126.71 42.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.63 111.708 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.0 mm -108.7 123.16 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 1.76 109.696 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.487 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 57.7 m -103.6 130.57 51.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 1.0 111.655 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.483 ' C ' ' H ' ' A' ' 56' ' ' SER . 57.7 t80 -120.77 156.67 31.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.463 -0.789 . . . . 4.18 109.686 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.54 22.33 0.3 Allowed Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.661 -0.78 . . . . 2.0 113.109 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 54' ' ' TYR . 48.0 t -157.4 -45.41 0.07 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.912 0.356 . . . . 2.2 111.515 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -130.13 133.16 46.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.149 0.5 . . . . 2.51 112.212 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.33 139.26 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.724 -0.671 . . . . 1.38 110.395 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.0 mt -123.57 124.6 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.963 0.411 . . . . 1.6 111.66 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -116.88 139.75 50.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.94 -0.573 . . . . 2.74 110.508 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -138.62 162.1 35.46 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.088 0.47 . . . . 1.79 111.567 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -143.88 126.81 16.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.774 -0.648 . . . . 2.01 110.442 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -149.41 151.36 33.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 1.66 111.463 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.9 m -113.33 129.14 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.747 -0.66 . . . . 0.62 110.594 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.16 135.72 25.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 1.57 111.079 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.53 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 61.34 53.34 45.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.8 112.404 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -163.72 144.27 8.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.893 0.377 . . . . 2.66 111.205 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -82.68 122.53 28.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.55 . . . . 1.32 110.359 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 79.9 m -123.48 152.25 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.364 . . . . 1.86 111.112 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -98.52 120.38 38.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 1.71 110.833 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.5 tp -120.25 145.91 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.91 110.9 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -85.45 123.79 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 2.11 110.997 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 p -83.58 166.08 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 1.76 111.027 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -69.38 -12.73 61.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 3.79 110.815 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -81.47 -30.64 33.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 2.23 110.844 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.36 8.55 23.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.951 -0.642 . . . . 1.47 112.344 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -107.91 143.09 37.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.867 0.365 . . . . 1.94 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -85.24 125.14 32.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 2.94 111.046 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.11 146.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 1.06 111.044 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -105.01 135.72 45.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 3.13 110.799 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.57 142.52 28.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.266 -0.425 . . . . 0.69 111.677 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 t -97.6 121.78 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.854 -0.612 . . . . 1.4 110.585 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 p -106.24 120.51 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.26 111.252 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.53 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 33.7 mtmm -134.81 152.09 51.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.066 -0.516 . . . . 2.11 110.999 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.66 141.19 34.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 2.62 110.64 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' H ' ' HA ' ' A' ' 91' ' ' MET . 11.3 tp10 -89.58 -20.63 23.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 2.06 110.844 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.51 -104.79 0.55 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.583 -0.818 . . . . 1.62 113.468 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -96.62 126.99 42.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.389 . . . . 2.84 111.617 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 10.0 p30 49.67 12.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.101 -0.954 . . . . 2.22 112.714 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -137.84 128.96 27.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.17 0.509 . . . . 2.05 112.163 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.422 ' HA ' ' H ' ' A' ' 86' ' ' GLU . 58.4 mtt -141.76 133.02 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.26 -0.882 . . . . 1.96 109.504 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.12 119.04 59.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.888 0.699 . . . . 1.46 112.888 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.524 HG23 ' HB3' ' A' ' 100' ' ' SER . 2.3 t -134.15 127.2 31.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.309 -0.86 . . . . 0.52 109.77 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.9 m -120.73 128.9 53.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.01 0.433 . . . . 1.23 112.054 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.459 ' HE1' ' HB2' ' A' ' 100' ' ' SER . 32.4 p90 -138.32 127.04 23.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.703 -0.68 . . . . 0.96 110.197 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 52.54 -155.23 0.18 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.503 -0.317 . . . . 2.52 110.533 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.0 28.26 3.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.657 -0.783 . . . . 0.83 112.54 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.457 HG13 HD13 ' A' ' 115' ' ' LEU . 4.7 mp -121.51 137.95 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.698 0.285 . . . . 1.45 110.978 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -97.17 127.25 42.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.328 -0.396 . . . . 2.71 110.717 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.524 ' HB3' HG23 ' A' ' 93' ' ' THR . 46.2 t -121.76 121.06 36.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 1.23 111.127 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.81 122.11 56.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.59 110.262 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 88.5 m -114.42 131.2 56.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.59 111.758 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -96.25 127.27 42.11 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.175 -0.676 . . . . 2.1 109.175 178.574 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.11 116.55 31.75 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.874 0.694 . . . . 0.83 112.874 -178.222 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.415 ' C ' ' H ' ' A' ' 107' ' ' ASP . 77.9 m-20 -125.08 153.82 42.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.666 -0.697 . . . . 1.72 109.964 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.48 30.57 0.85 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.641 -0.79 . . . . 1.44 113.02 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 105' ' ' ASN . 4.0 p30 -169.23 -20.38 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.905 0.352 . . . . 2.55 111.711 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -140.95 145.23 35.76 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.258 0.466 . . . . 1.53 112.258 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.4 mm -132.48 120.54 42.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.813 -0.631 . . . . 1.54 110.839 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.1 m -116.19 137.17 52.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.23 -0.441 . . . . 0.44 111.577 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.507 ' HB3' ' HB3' ' A' ' 122' ' ' ARG . 41.3 t30 -113.3 131.84 55.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.326 -0.397 . . . . 1.95 110.379 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 100' ' ' SER . 4.4 m -120.4 116.76 26.12 Favored 'General case' 0 N--CA 1.461 0.081 0 N-CA-C 112.551 0.575 . . . . 0.57 112.551 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.515 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 65.8 mtm -125.44 120.84 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 1.51 109.691 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.0 m -121.62 125.1 45.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.56 111.952 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.457 HD13 HG13 ' A' ' 98' ' ' ILE . 50.2 tp -135.16 115.54 13.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.953 -0.567 . . . . 1.85 110.424 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.28 -73.97 2.28 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.737 -0.744 . . . . 1.8 112.304 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -164.23 16.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.067 0.46 . . . . 2.23 110.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.757 HG22 HD22 ' A' ' 14' ' ' ASN . 3.5 mt -105.22 137.54 34.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.935 -0.575 . . . . 0.83 111.085 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.7 t -108.94 117.43 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.102 0.477 . . . . 1.35 111.607 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.515 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 29.1 t80 -101.86 119.8 39.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.405 -0.816 . . . . 1.67 110.071 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 53.5 mtmt -128.04 124.36 36.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.536 -0.302 . . . . 2.05 111.741 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 23.4 ttm180 -105.74 124.74 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 2.32 110.368 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 40.3 t -103.29 120.32 53.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.41 110.819 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 49.7 m -133.23 139.43 46.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 1.14 111.252 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -106.91 141.1 38.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.061 -0.518 . . . . 2.04 110.814 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -79.71 122.79 27.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 3.09 110.667 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 42.0 pt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.31 111.202 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.428 ' OG ' ' HB3' ' A' ' 43' ' ' HIS . 26.8 m . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.704 0.288 . . . . 1.53 110.518 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.22 169.82 24.96 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.9 -0.667 . . . . 0.54 112.945 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmmm? -105.11 126.51 52.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.841 0.353 . . . . 2.38 110.661 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.422 ' HB3' ' HB3' ' A' ' 124' ' ' SER . 31.0 m-85 -113.35 150.75 32.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 1.13 110.962 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' A' ' 36' ' ' LYS . 56.2 tp60 -122.27 126.07 47.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 1.39 111.251 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.611 HG22 ' HD2' ' A' ' 122' ' ' ARG . 41.2 t -69.53 143.53 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 1.24 110.052 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -113.93 -41.64 3.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.573 -0.285 . . . . 2.2 111.766 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -169.62 168.78 9.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.989 0.423 . . . . 1.72 111.442 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.523 HE22 ' HA ' ' A' ' 120' ' ' TYR . 37.8 tp60 -144.61 133.62 22.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.91 -0.587 . . . . 2.01 110.845 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -98.38 139.55 33.98 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.441 -0.345 . . . . 2.39 110.774 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 58.94 94.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.483 -0.326 . . . . 1.88 110.88 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.83 -40.03 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.489 -0.323 . . . . 3.26 111.101 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 13.9 mm-40 -52.67 -48.45 90.65 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 112.443 0.534 . . . . 1.96 112.443 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 43.9 Cg_endo -68.75 -40.23 7.5 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 121.651 1.567 . . . . 0.72 112.461 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.48 -50.89 65.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 1.46 111.463 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.666 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.94 -38.47 76.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.385 -0.371 . . . . 4.48 111.454 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 70.5 mttt -65.5 -40.87 93.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.378 . . . . 2.27 110.774 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.74 -12.87 61.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.85 111.145 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.2 tpp -104.74 -75.56 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 2.05 110.828 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 8.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.971 -0.633 . . . . 0.97 112.188 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.709 HD11 HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -83.11 118.27 71.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 110.481 -0.192 . . . . 1.45 110.481 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.61 ' HD2' HD13 ' A' ' 24' ' ' LEU . 42.3 Cg_endo -66.46 133.27 31.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.361 2.04 . . . . 0.94 112.3 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -50.79 -31.19 16.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.846 -0.616 . . . . 1.99 112.117 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' ' 25' ' ' PRO . 1.9 p30 -62.99 -42.19 99.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.656 0.265 . . . . 2.29 111.219 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.709 HD22 HD11 ' A' ' 24' ' ' LEU . 8.1 tt -68.27 -39.28 82.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.367 . . . . 1.65 111.244 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 25' ' ' PRO . 2.8 mp -60.15 -41.23 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.455 -0.339 . . . . 1.27 111.563 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 29.5 mm-40 -53.85 -47.03 71.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 1.44 110.931 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.1 -31.98 71.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 2.84 110.71 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.28 -53.65 20.63 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.992 -0.623 . . . . 0.83 113.225 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -56.16 -31.35 63.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 1.82 111.389 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -66.2 -26.8 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.89 110.832 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.5 mt -113.18 117.01 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 1.28 111.175 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.446 ' HB3' HE21 ' A' ' 8' ' ' GLN . 96.1 mttt -60.36 125.34 23.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 2.58 110.712 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.41 155.14 52.88 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.005 -0.617 . . . . 0.49 112.7 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 t -122.27 133.5 68.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.31 -0.256 . . . . 0.8 110.31 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -135.09 144.98 47.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.961 0.41 . . . . 1.4 111.799 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -134.8 141.78 46.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 2.16 110.078 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 4' ' ' SER . 28.0 mm -122.21 117.71 53.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.828 0.347 . . . . 1.16 111.771 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 85.1 t -109.7 114.55 47.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.52 110.418 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.428 ' HB3' ' OG ' ' A' ' 4' ' ' SER . 20.7 t-80 -105.06 115.7 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 1.31 110.956 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -138.4 106.33 5.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.07 -0.514 . . . . 2.53 111.529 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 50.52 62.25 5.32 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.14 -0.552 . . . . 1.77 113.488 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 68.31 -17.56 0.17 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.321 0.489 . . . . 3.15 112.321 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 45' ' ' GLY . 56.3 mtpt -91.54 108.25 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 2.71 110.508 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 61.0 t -109.19 127.49 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 1.36 111.298 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HG2' ' HB3' ' A' ' 62' ' ' GLU . 97.0 mttt -103.03 137.88 40.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 2.54 110.941 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.0 tp -111.09 123.86 51.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 1.69 110.738 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.0 m -123.28 126.21 46.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.878 0.371 . . . . 0.63 111.024 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mt -131.4 130.39 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 1.76 110.736 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -120.02 129.9 54.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.368 . . . . 1.0 111.548 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -121.66 109.02 14.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.926 -0.579 . . . . 4.18 110.62 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.94 -85.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.565 -0.826 . . . . 2.0 112.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.1 p -136.37 13.84 3.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.567 0.222 . . . . 2.2 111.326 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' HD3' HD11 ' A' ' 59' ' ' ILE . 38.1 ttmt -109.54 121.57 45.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 2.51 111.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.12 126.69 52.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.103 0.478 . . . . 1.38 110.709 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.447 HD11 ' HD3' ' A' ' 57' ' ' LYS . 50.7 mm -115.57 116.38 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 1.6 110.659 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -116.95 130.05 56.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.171 -0.468 . . . . 2.74 111.534 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -138.82 161.13 38.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 1.79 110.529 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 10.2 pt-20 -143.53 140.54 30.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 2.01 111.054 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -148.7 145.19 27.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 1.66 111.419 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.501 ' HB ' ' HB2' ' A' ' 67' ' ' GLU . 53.6 m -104.68 131.12 52.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.898 -0.592 . . . . 0.62 110.853 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD13 ' HG2' ' A' ' 85' ' ' MET . 97.9 mt -55.57 139.46 44.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 1.57 111.11 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.516 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 56.76 27.84 56.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.025 -0.607 . . . . 0.8 112.695 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 11.3 mm-40 -141.65 138.15 32.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.946 0.403 . . . . 2.66 110.979 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 41.3 tt0 -86.6 120.5 27.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 1.32 110.496 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.9 t -115.92 157.27 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 1.86 111.137 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.21 122.41 39.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 1.71 110.566 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tt -117.7 143.69 45.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 1.91 110.941 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -86.33 121.88 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 2.11 110.718 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 74' ' ' MET . 1.5 m -87.47 164.68 16.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 1.76 111.126 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.407 ' H ' HG22 ' A' ' 73' ' ' THR . 51.2 ttm -69.25 -24.62 64.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 3.79 110.674 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -66.04 -13.22 59.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.895 -0.593 . . . . 2.23 111.249 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.34 -20.44 46.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.823 -0.703 . . . . 1.47 112.263 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -96.44 145.61 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.333 . . . . 1.94 111.07 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.442 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -84.7 141.37 30.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 2.94 111.416 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.76 134.07 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 1.06 111.013 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -90.79 136.72 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.978 0.418 . . . . 3.13 111.184 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.44 142.52 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.69 111.57 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 6.8 p -110.32 123.4 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 1.4 110.591 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.495 HG23 ' HB ' ' A' ' 93' ' ' THR . 7.2 p -108.65 133.27 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 1.26 110.908 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.516 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 70.0 mttt -131.91 152.09 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 2.11 110.939 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.585 ' HG2' HD13 ' A' ' 65' ' ' LEU . 4.9 ppp? -106.34 142.25 36.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 2.62 111.104 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -102.29 -11.88 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.918 -0.583 . . . . 2.06 110.357 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.92 -127.68 5.24 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.589 -0.732 . . . . 1.62 112.64 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 14.2 m-20 -101.04 128.39 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.881 0.372 . . . . 2.84 110.906 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 1.5 m-20 79.6 -7.71 1.67 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.046 -0.979 . . . . 2.22 112.51 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 128.76 39.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.579 0.585 . . . . 2.05 112.579 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.1 mmt -141.62 136.97 31.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.266 -0.879 . . . . 1.96 109.86 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.4 p -129.72 121.41 52.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.223 0.535 . . . . 1.46 112.013 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 100' ' ' SER . 4.6 t -133.36 135.68 44.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.625 -0.716 . . . . 0.52 110.386 179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.8 p -125.21 129.17 49.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.864 0.364 . . . . 1.23 111.652 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -138.79 127.5 23.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.96 110.915 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? 61.85 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 2.52 111.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -157.7 8.78 0.21 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.691 -0.766 . . . . 0.83 112.554 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.578 HG12 HD13 ' A' ' 115' ' ' LEU . 79.2 mt -101.01 137.8 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.746 0.308 . . . . 1.45 111.064 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -97.84 121.63 39.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 2.71 110.701 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.561 ' HB2' HG23 ' A' ' 93' ' ' THR . 68.9 m -120.36 120.51 36.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 1.23 110.773 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 56.0 t -121.13 122.55 67.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.59 110.341 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 m -114.24 130.57 56.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.1 -0.5 . . . . 0.59 111.71 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 41.4 tt0 -96.32 121.81 38.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.813 -0.63 . . . . 2.1 109.332 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -101.4 116.11 32.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.18 0.514 . . . . 0.83 112.126 -178.639 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 108' ' ' THR . 49.5 m-20 -125.69 154.16 42.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.634 -0.712 . . . . 1.72 110.027 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.43 36.77 1.79 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.389 -0.91 . . . . 1.44 112.858 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -171.33 -36.82 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 111.972 0.36 . . . . 2.55 111.972 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 62.8 m -140.7 127.07 19.89 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.37 0.507 . . . . 1.53 112.37 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 108' ' ' THR . 1.7 mp -112.41 129.57 67.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.114 -0.494 . . . . 1.54 110.809 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 89.8 m -115.28 140.03 49.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.44 111.322 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 122' ' ' ARG . 28.7 t-20 -114.03 132.34 56.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 1.95 110.573 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 100' ' ' SER . 1.6 m -118.98 117.13 27.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.818 0.342 . . . . 0.57 111.758 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.417 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 61.6 mtt -124.64 121.31 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 1.51 110.212 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.5 m -119.5 121.97 40.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.56 111.911 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.578 HD13 HG12 ' A' ' 98' ' ' ILE . 62.6 tp -143.78 115.44 8.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 1.85 110.504 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.14 45.24 72.68 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.811 -0.709 . . . . 1.8 112.558 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 65.02 5.89 3.18 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.551 0.215 . . . . 2.23 111.526 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.6 mt -90.16 136.25 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.705 0.288 . . . . 0.83 110.737 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -101.08 136.88 30.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.217 0.532 . . . . 1.35 111.857 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.523 ' HA ' HE22 ' A' ' 12' ' ' GLN . 31.5 t80 -132.44 119.29 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.512 -0.767 . . . . 1.67 109.833 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.459 ' H ' HE22 ' A' ' 12' ' ' GLN . 39.1 ttpt -128.94 122.91 31.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.731 0.301 . . . . 2.05 111.383 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.611 ' HD2' HG22 ' A' ' 9' ' ' VAL . 42.8 ttp180 -103.04 132.65 49.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 2.32 110.693 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.4 t -102.46 119.12 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.41 110.296 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 13.8 m -133.02 141.75 48.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 1.14 111.371 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 149.07 41.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.862 -0.608 . . . . 2.04 110.708 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -82.16 129.09 34.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 3.09 110.886 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.4 pt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 1.31 111.104 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.843 0.354 . . . . 1.53 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.71 145.15 4.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.54 112.651 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -94.25 139.16 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 2.38 111.039 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -128.31 150.28 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.608 . . . . 1.13 110.555 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.595 ' HA ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -118.13 123.66 46.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.323 . . . . 1.39 111.622 -179.374 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -71.56 133.77 31.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 116.246 -0.434 . . . . 1.24 110.358 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -106.47 -37.91 6.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.908 0.336 . . . . 2.2 111.908 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 t -156.51 167.65 29.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.041 0.448 . . . . 1.72 111.74 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -145.85 154.98 42.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.675 -0.693 . . . . 2.01 110.342 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 42.1 mt-10 -113.78 136.88 52.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.67 0.271 . . . . 2.39 111.325 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 93.8 m-20 66.52 120.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.032 -0.531 . . . . 1.88 111.301 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' HB3' HD13 ' A' ' 29' ' ' ILE . 17.4 m-85 -130.07 -61.97 0.96 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.248 -0.433 . . . . 3.26 111.461 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.564 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . 45.2 mt-10 -48.28 -47.45 67.31 Favored Pre-proline 0 N--CA 1.463 0.225 0 CA-C-N 116.043 -0.526 . . . . 1.96 111.897 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 32.5 Cg_exo -58.11 -40.75 74.28 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 121.662 1.575 . . . . 0.72 112.192 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.7 -52.48 60.36 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.147 0.425 . . . . 1.46 112.147 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.706 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -59.73 -37.44 78.93 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.648 0.261 . . . . 4.48 111.499 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 92.5 mttt -70.05 -45.2 67.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.587 -0.279 . . . . 2.27 111.533 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.09 -75.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.977 0.418 . . . . 0.85 111.867 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.5 tpp -47.23 -36.93 9.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.585 -0.734 . . . . 2.05 112.015 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.87 10.18 21.44 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.528 -0.844 . . . . 0.97 112.143 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.706 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 24.0 tp -74.26 149.56 86.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 108.747 -0.835 . . . . 1.45 108.747 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.539 ' HB2' HD13 ' A' ' 28' ' ' LEU . 3.1 Cg_exo -82.45 125.91 4.6 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.723 2.282 . . . . 0.94 112.519 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HB3' ' SD ' ' A' ' 19' ' ' MET . 13.3 pt-20 -52.78 -33.37 48.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.052 -0.522 . . . . 1.99 111.187 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.37 -46.97 88.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.308 -0.406 . . . . 2.29 110.296 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 25' ' ' PRO . 11.3 mp -63.7 -36.11 82.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.843 -0.617 . . . . 1.65 110.417 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.659 HD12 ' HG2' ' A' ' 19' ' ' MET . 3.8 mt -57.62 -48.78 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 1.27 111.2 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' HA ' ' HD3' ' A' ' 33' ' ' LYS . 80.7 mm-40 -60.34 -42.91 96.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.022 -0.535 . . . . 1.44 111.543 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -68.72 -31.73 71.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.474 -0.33 . . . . 2.84 111.252 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.19 -33.42 32.5 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.891 -0.671 . . . . 0.83 113.368 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.478 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 17.9 ptmt -77.29 -27.54 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 1.82 111.427 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -73.88 -25.6 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.345 -0.389 . . . . 1.89 111.116 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -113.04 124.28 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 1.28 111.28 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -60.73 110.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 2.58 111.012 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.69 173.93 29.42 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.942 -0.647 . . . . 0.49 112.576 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.477 HG12 ' HB ' ' A' ' 53' ' ' THR . 3.4 p -132.91 142.56 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.8 111.158 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -135.88 122.97 21.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.4 110.634 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -125.0 143.34 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.612 0.244 . . . . 2.16 110.685 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.1 mt -127.0 119.61 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 1.16 111.476 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.0 t -108.33 114.69 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.52 110.476 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -103.57 114.93 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 1.31 111.024 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -138.87 104.26 5.02 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.089 -0.505 . . . . 2.53 111.564 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 50.19 60.65 6.48 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 121.191 -0.528 . . . . 1.77 113.53 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 69.16 -18.61 0.18 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.18 0.437 . . . . 3.15 112.18 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 45' ' ' GLY . 5.1 mptp? -90.36 108.37 19.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 2.71 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 49.1 t -106.41 140.51 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 1.36 111.797 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.499 ' HG2' ' HG2' ' A' ' 62' ' ' GLU . 36.0 mtmm -118.49 128.32 54.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.672 -0.695 . . . . 2.54 110.347 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -106.29 128.7 54.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 1.69 111.075 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.419 ' N ' HD13 ' A' ' 50' ' ' LEU . 27.8 m -125.78 126.16 44.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.63 111.032 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.5 mt -131.44 136.87 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 1.76 110.701 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.477 ' HB ' HG12 ' A' ' 38' ' ' VAL . 62.5 m -118.22 130.13 55.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 1.0 111.417 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -121.53 108.98 14.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 4.18 110.266 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.58 -83.82 0.2 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.738 -0.744 . . . . 2.0 112.382 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -142.76 18.28 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 2.2 110.969 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -111.09 136.37 50.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 2.51 110.965 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.91 126.29 59.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.051 -0.522 . . . . 1.38 110.522 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.0 mt -119.21 115.95 49.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 1.6 110.785 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -118.9 143.21 47.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 2.74 111.545 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -149.14 149.82 31.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 1.79 110.676 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.499 ' HG2' ' HG2' ' A' ' 49' ' ' LYS . 38.1 mt-10 -125.46 134.61 52.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 2.01 111.015 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.424 ' HA ' ' SG ' ' A' ' 69' ' ' CYS . 8.2 p90 -148.94 151.56 34.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 1.66 111.325 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 m -107.62 131.15 54.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.62 111.034 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.432 HD12 ' C ' ' A' ' 65' ' ' LEU . 4.3 pp -58.95 158.48 8.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.033 -0.53 . . . . 1.57 111.424 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.545 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 47.81 35.06 11.75 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.91 -0.586 . . . . 0.8 112.985 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -161.91 142.9 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 2.66 110.952 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.3 120.0 20.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 1.32 110.702 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 63' ' ' PHE . 31.6 t -118.85 157.12 28.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.39 -0.368 . . . . 1.86 110.651 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HG2' ' HE2' ' A' ' 78' ' ' LYS . 42.2 tt0 -107.84 120.56 42.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 1.71 111.184 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.566 ' H ' HD23 ' A' ' 71' ' ' LEU . 1.6 pt? -119.05 146.81 44.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 1.91 110.863 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -84.55 131.39 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 2.11 110.827 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.4 p -93.23 177.43 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 1.76 111.263 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.9 ptp -67.14 -26.96 66.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 3.79 110.791 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 p -79.1 -4.45 50.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 2.23 111.171 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.68 -14.16 56.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.569 -0.824 . . . . 1.47 112.189 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -75.46 140.31 42.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.809 0.338 . . . . 1.94 110.76 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.52 ' HE2' ' HG2' ' A' ' 70' ' ' GLU . 14.4 mmmm -90.96 125.44 35.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 2.94 111.075 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.7 m -121.87 147.38 25.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.43 . . . . 1.06 111.172 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -106.5 136.58 46.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.282 -0.417 . . . . 3.13 110.791 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.62 143.37 28.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.233 -0.44 . . . . 0.69 111.696 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.3 t -99.6 115.09 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.4 110.62 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.3 122.9 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.988 0.423 . . . . 1.26 111.171 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.545 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 22.6 mtpp -134.39 151.74 51.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.925 -0.58 . . . . 2.11 110.565 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -94.29 137.71 33.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.3 -0.409 . . . . 2.62 110.669 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -100.2 -12.13 19.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.041 0.448 . . . . 2.06 110.676 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.29 109.3 2.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 1.62 113.365 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.548 ' C ' ' H ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER 54.19 -134.44 1.59 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.251 0.548 . . . . 2.84 111.11 179.052 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.629 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 8.8 p30 -45.6 0.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.615 -1.175 . . . . 2.22 113.67 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 89' ' ' ASN . 69.8 mmtt -128.89 123.33 32.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 118.716 0.689 . . . . 2.05 112.774 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.7 mtp -139.5 129.99 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.114 -0.948 . . . . 1.96 109.259 177.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.41 118.31 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.247 0.546 . . . . 1.46 112.464 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.435 HG23 ' OG ' ' A' ' 100' ' ' SER . 1.5 t -134.59 129.39 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.432 -0.803 . . . . 0.52 110.038 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -124.38 128.55 49.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 1.23 112.124 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -136.21 123.31 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.671 -0.695 . . . . 0.96 109.74 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp 55.13 -153.73 0.31 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 2.52 110.163 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.19 12.86 35.74 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.52 -0.847 . . . . 0.83 112.651 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 115' ' ' LEU . 25.8 mm -102.9 133.06 47.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 1.45 111.042 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -100.05 121.59 41.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.454 -0.339 . . . . 2.71 110.585 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 112' ' ' THR . 27.9 p -121.5 120.86 36.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 1.23 111.327 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 71.0 t -125.28 122.82 63.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.841 -0.618 . . . . 0.59 110.179 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.4 m -113.5 132.08 55.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.383 . . . . 0.59 111.721 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.629 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 21.1 tt0 -99.58 120.22 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 2.1 110.042 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.623 ' N ' ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -95.14 115.07 26.95 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 113.15 0.796 . . . . 0.83 113.15 -178.768 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 108' ' ' THR . 3.9 m-20 -125.87 153.34 44.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.947 -1.024 . . . . 1.72 109.992 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.5 27.65 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.375 -0.917 . . . . 1.44 112.521 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -151.19 -47.67 0.12 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 120.694 0.283 . . . . 2.55 111.438 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 58.0 m -138.93 123.65 18.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.853 0.358 . . . . 1.53 111.448 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 109' ' ' ILE . 2.1 mp -102.68 124.19 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 1.54 110.755 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.4 m -115.58 139.67 49.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.328 -0.396 . . . . 0.44 111.71 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.641 ' HB3' ' HG2' ' A' ' 122' ' ' ARG . 27.2 t-20 -119.51 139.52 51.97 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.464 -0.335 . . . . 1.95 110.596 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 100' ' ' SER . 0.6 OUTLIER -119.51 119.14 32.98 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.201 0.445 . . . . 0.57 112.201 -179.194 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.533 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 67.1 mtt -124.12 120.5 32.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.545 . . . . 1.51 109.609 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.4 m -127.37 125.44 40.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.224 0.453 . . . . 0.56 112.224 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 98' ' ' ILE . 1.2 pt? -127.58 115.57 19.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.783 -0.644 . . . . 1.85 109.863 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.63 -79.28 0.7 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.664 -0.779 . . . . 1.8 112.03 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -149.69 4.88 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 2.23 110.818 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.432 HD13 ' C ' ' A' ' 17' ' ' PRO . 17.3 mt -87.35 137.84 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.83 111.754 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.3 t -110.72 117.0 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.969 -0.559 . . . . 1.35 110.806 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.533 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 27.7 t80 -115.35 117.26 29.93 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.725 -0.472 . . . . 1.67 109.725 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -130.46 132.22 45.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 2.05 111.537 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.641 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 16.7 ptt180 -116.67 131.23 57.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 2.32 111.186 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.66 119.5 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.41 110.352 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.0 m -119.56 140.29 50.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.94 0.4 . . . . 1.14 111.57 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.68 140.08 40.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.909 -0.587 . . . . 2.04 110.47 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -71.0 127.7 33.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 3.09 111.074 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.5 pt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.026 -0.534 . . . . 1.31 111.132 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.787 0.327 . . . . 1.53 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.88 177.41 43.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.693 -0.765 . . . . 0.54 112.398 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.52 ' HG3' ' HG2' ' A' ' 40' ' ' GLU . 75.9 tttt -119.57 124.11 45.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.32 . . . . 2.38 110.8 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -125.99 146.48 49.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 1.13 110.463 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 124' ' ' SER . 7.3 tp60 -116.97 128.81 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 1.39 111.607 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.419 HG22 ' HD2' ' A' ' 122' ' ' ARG . 51.7 t -69.71 126.12 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 1.24 109.974 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.534 ' HA ' ' HZ1' ' A' ' 36' ' ' LYS . 53.7 mt-30 -101.04 -37.53 8.57 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.828 0.307 . . . . 2.2 111.828 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.7 t -166.09 162.32 17.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.129 0.49 . . . . 1.72 111.67 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -145.25 132.62 20.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.782 -0.645 . . . . 2.01 110.351 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.78 134.68 37.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.688 0.28 . . . . 2.39 111.024 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 62.79 100.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 1.88 110.974 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -55.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.984 -0.553 . . . . 3.26 111.127 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 40.2 mt-10 -48.86 -48.6 70.82 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 112.858 0.688 . . . . 1.96 112.858 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 40.1 Cg_endo -66.58 -40.9 12.51 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.737 1.625 . . . . 0.72 113.301 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.71 -49.88 55.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 1.46 111.323 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.651 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.45 -45.08 95.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 4.48 112.046 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.551 ' N ' ' SD ' ' A' ' 19' ' ' MET . 12.0 tttm -70.43 -39.05 74.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.35 -0.386 . . . . 2.27 111.444 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.68 -11.97 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.084 0.469 . . . . 0.85 110.515 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.8 tpt -101.18 -69.43 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.681 -0.69 . . . . 2.05 110.653 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.55 6.48 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.947 -0.644 . . . . 0.97 112.564 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.651 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 14.3 tp -80.98 139.17 49.53 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 122.979 -0.13 . . . . 1.45 110.705 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 1.8 Cg_endo -83.45 123.72 3.46 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.178 2.585 . . . . 0.94 112.712 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.742 ' HA ' HD12 ' A' ' 29' ' ' ILE . 35.1 tt0 -52.32 -28.35 18.87 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.215 -0.448 . . . . 1.99 112.168 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.25 -49.05 77.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.669 0.248 . . . . 2.29 111.669 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.4 -37.7 74.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.166 0.508 . . . . 1.65 110.905 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 26' ' ' GLU . 14.4 mt -62.77 -40.4 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.483 -0.78 . . . . 1.27 112.43 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 25.9 mm-40 -54.45 -47.9 72.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 1.44 111.078 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -69.81 -31.54 69.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 2.84 111.558 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.55 -30.4 49.18 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.901 -0.666 . . . . 0.83 114.105 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 21.3 ptmt -71.3 -28.85 64.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.257 0.528 . . . . 1.82 111.171 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.03 -6.5 54.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.917 0.389 . . . . 1.89 110.586 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.417 HD13 ' HA2' ' A' ' 55' ' ' GLY . 66.3 mt -114.27 125.1 71.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.922 -0.581 . . . . 1.28 111.178 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.534 ' HZ1' ' HA ' ' A' ' 10' ' ' GLN . 27.5 mtpp -61.66 114.63 3.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 2.58 110.479 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.72 160.7 18.85 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.847 -0.692 . . . . 0.49 112.632 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.4 t -122.62 133.34 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.57 0.224 . . . . 0.8 110.68 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.433 ' HA ' HD13 ' A' ' 52' ' ' ILE . 79.8 p -135.07 128.33 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 1.4 111.289 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' HG2' ' HG3' ' A' ' 6' ' ' LYS . 41.4 mt-10 -134.61 127.72 31.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 2.16 110.56 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.3 mp -113.75 119.11 60.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.881 0.372 . . . . 1.16 111.46 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 91.6 t -108.36 114.68 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.52 110.329 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -103.1 116.28 32.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.766 0.317 . . . . 1.31 111.172 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -138.13 101.93 4.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.136 -0.483 . . . . 2.53 111.482 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 47.38 64.97 2.55 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.275 -0.488 . . . . 1.77 113.31 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 65' ' ' LEU . 54.7 mtmt 68.58 -17.84 0.18 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.173 0.434 . . . . 3.15 112.173 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 45' ' ' GLY . 59.7 mtpt -90.42 108.62 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.119 -0.326 . . . . 2.71 110.119 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 60.5 t -108.28 124.97 65.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.981 0.419 . . . . 1.36 111.887 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -99.02 127.0 44.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.882 -0.599 . . . . 2.54 110.032 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.98 124.26 51.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 1.69 110.826 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.3 m -125.68 127.22 45.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.63 111.357 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 39' ' ' SER . 44.2 mm -127.71 127.65 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 1.76 110.456 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.3 m -111.09 131.13 55.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.015 0.436 . . . . 1.0 111.702 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -120.67 109.41 15.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.774 -0.648 . . . . 4.18 110.422 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' HA2' HD13 ' A' ' 35' ' ' ILE . . . 69.18 -85.07 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 2.0 112.497 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.3 p -138.59 13.76 2.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.713 0.292 . . . . 2.2 111.416 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -112.95 129.67 56.4 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.389 -0.369 . . . . 2.51 111.202 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.9 t -102.32 126.42 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 1.38 110.583 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -112.16 121.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 1.6 110.825 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -109.88 144.31 38.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 2.74 111.518 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -147.75 161.68 40.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.945 -0.57 . . . . 1.79 110.78 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -145.26 129.05 17.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 2.01 111.126 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -148.61 152.65 37.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 1.66 111.146 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' ' 67' ' ' GLU . 33.1 m -96.0 131.96 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.62 110.717 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 46' ' ' LYS . 96.5 mt -41.83 -93.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.932 0.715 . . . . 1.57 112.932 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.449 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . -74.91 40.91 1.21 Allowed Glycine 0 C--N 1.316 -0.545 0 CA-C-N 115.467 -0.788 . . . . 0.8 113.698 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.553 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 16.6 mm-40 -149.76 132.47 15.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 2.66 110.752 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -74.17 119.07 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 1.32 110.515 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.5 t -116.52 157.43 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 1.86 110.996 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -98.2 119.35 36.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.118 -0.492 . . . . 1.71 110.989 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 71' ' ' LEU . 7.3 mp -111.56 145.72 38.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 1.91 110.747 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -85.97 134.17 33.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 2.11 111.008 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.6 p -89.57 171.32 9.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 1.76 110.926 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.9 tpp -68.97 -25.62 64.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 3.79 110.82 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.6 p -78.89 -23.43 44.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 2.23 111.018 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.15 7.98 34.46 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.833 -0.699 . . . . 1.47 111.99 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -88.92 146.06 25.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 1.94 110.86 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -91.42 119.15 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 2.94 110.776 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.17 146.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.25 -0.432 . . . . 1.06 111.21 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -108.57 132.91 53.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 3.13 110.619 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.53 142.37 27.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.95 0.405 . . . . 0.69 111.607 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.4 p -123.52 115.01 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 1.4 110.813 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.421 HG23 ' HB ' ' A' ' 93' ' ' THR . 2.8 p -109.77 116.02 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 1.26 110.934 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.449 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 26.3 mtpp -104.64 143.36 33.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.398 -0.364 . . . . 2.11 110.909 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.12 140.54 44.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 2.62 111.008 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -104.12 -21.95 13.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 2.06 110.801 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.95 33.47 62.68 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.65 -0.786 . . . . 1.62 112.315 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -151.42 59.1 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.459 0.171 . . . . 2.84 111.155 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.616 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 17.4 t-20 54.85 14.24 0.87 Allowed 'General case' 0 C--O 1.225 -0.196 0 CA-C-O 120.644 0.259 . . . . 2.22 110.997 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.7 128.39 30.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.204 0.526 . . . . 2.05 112.132 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 54.9 ttm -142.02 146.79 35.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.242 -0.89 . . . . 1.96 109.867 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -131.54 122.36 50.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.047 0.451 . . . . 1.46 112.048 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.615 HG23 ' HB2' ' A' ' 100' ' ' SER . 4.8 t -133.65 135.25 44.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.83 -0.623 . . . . 0.52 110.76 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.2 p -126.24 126.34 43.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.664 0.269 . . . . 1.23 111.566 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.5 ' HD2' ' HZ1' ' A' ' 96' ' ' LYS . 29.6 p90 -139.14 128.1 23.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.96 111.209 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HZ1' ' HD2' ' A' ' 95' ' ' PHE . 36.0 mtmm 58.53 22.23 9.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 2.52 112.091 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.4 4.2 83.67 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.583 -0.818 . . . . 0.83 112.967 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 69.0 mt -90.19 139.11 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.575 0.226 . . . . 1.45 110.426 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -95.89 118.07 31.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.89 0.376 . . . . 2.71 111.226 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.615 ' HB2' HG23 ' A' ' 93' ' ' THR . 62.1 m -122.41 120.28 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.576 . . . . 1.23 110.74 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.7 t -108.74 120.32 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.4 . . . . 0.59 110.753 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 91' ' ' MET . 40.0 m -116.47 122.82 45.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.55 . . . . 0.59 111.662 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -96.65 131.78 42.97 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.304 -0.628 . . . . 2.1 109.304 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.616 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.07 116.17 31.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.112 0.782 . . . . 0.83 113.112 -177.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -125.43 153.57 43.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.258 -0.883 . . . . 1.72 110.223 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.03 36.47 1.7 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.631 -0.795 . . . . 1.44 112.856 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -172.89 -28.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.859 0.318 . . . . 2.55 111.859 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.0 m -140.97 133.52 28.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.895 0.378 . . . . 1.53 111.86 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.401 ' HB ' ' OG ' ' A' ' 124' ' ' SER . 40.6 mm -118.47 121.57 67.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 1.54 110.902 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -110.91 139.3 46.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.401 -0.363 . . . . 0.44 111.325 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 121' ' ' LYS . 24.7 t-20 -123.93 131.74 53.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.281 -0.418 . . . . 1.95 111.022 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 100' ' ' SER . 1.8 m -120.29 118.39 30.3 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.392 -0.367 . . . . 0.57 111.491 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.623 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 63.8 mtt -124.38 127.37 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.079 -0.341 . . . . 1.51 110.079 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.5 m -120.67 121.81 39.09 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.985 0.422 . . . . 0.56 111.976 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 115' ' ' LEU . 3.1 tm? -144.59 115.78 7.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.814 -0.63 . . . . 1.85 109.855 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.43 95.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.542 -0.837 . . . . 1.8 112.268 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 66.82 5.59 4.08 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 122.382 0.273 . . . . 2.23 111.656 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.4 mt -87.5 137.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.589 -0.278 . . . . 0.83 110.75 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.2 t -105.13 134.28 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.179 0.514 . . . . 1.35 111.747 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.623 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 42.1 t80 -125.11 120.15 30.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.563 -0.744 . . . . 1.67 110.032 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 40.4 ttpt -128.22 124.25 36.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.462 -0.336 . . . . 2.05 111.322 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.419 ' HD2' HG22 ' A' ' 9' ' ' VAL . 41.6 ttp180 -112.41 122.77 48.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 2.32 110.567 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 62.1 t -102.51 119.59 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.942 -0.572 . . . . 0.41 110.57 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 89.1 p -130.24 138.95 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.854 0.359 . . . . 1.14 111.051 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.28 144.42 44.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.058 -0.519 . . . . 2.04 110.869 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -71.34 133.89 46.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 3.09 111.151 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.2 pt . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.187 -0.46 . . . . 1.31 111.065 179.722 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.781 0.324 . . . . 1.53 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.57 167.44 38.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.777 . . . . 0.54 112.579 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -107.29 118.73 37.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 2.38 110.539 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -119.63 150.57 40.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 1.13 110.742 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.514 HE21 ' HB3' ' A' ' 36' ' ' LYS . 55.2 tp60 -126.22 129.88 49.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 1.39 110.848 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.6 t -68.99 136.47 26.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.489 . . . . 1.24 110.611 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -109.14 -42.49 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 2.2 111.3 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -161.4 163.05 30.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.05 0.453 . . . . 1.72 111.47 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.583 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 7.9 tm0? -145.68 133.07 20.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.737 -0.665 . . . . 2.01 110.26 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.52 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 10.0 pt-20 -94.27 126.59 39.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.726 -0.216 . . . . 2.39 110.671 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER 80.15 148.23 0.09 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.89 0.744 . . . . 1.88 111.122 -179.569 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -166.95 -45.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 3.26 111.522 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . 10.0 mm-40 -63.18 -49.9 78.08 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.163 0.431 . . . . 1.96 112.163 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 12.2 Cg_exo -70.43 -41.47 3.4 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.983 1.789 . . . . 0.72 112.685 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -59.95 -52.15 66.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 1.46 111.056 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.594 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 23.0 mmt -65.46 -38.38 89.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 4.48 111.609 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.501 ' NZ ' ' HB3' ' A' ' 26' ' ' GLU . 12.8 mptt -58.06 -43.7 87.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.105 0.479 . . . . 2.27 110.419 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -17.22 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.543 -0.753 . . . . 0.85 110.803 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.1 tpp -93.78 -76.71 0.47 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.793 -0.64 . . . . 2.05 110.715 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.49 39.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.011 -0.614 . . . . 0.97 112.325 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 17.5 tp -117.74 133.43 23.32 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.547 0.213 . . . . 1.45 110.864 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' A' ' 24' ' ' LEU . 63.2 Cg_endo -71.73 136.49 28.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.505 2.137 . . . . 0.94 112.47 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.812 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -51.59 -33.56 33.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.718 -0.674 . . . . 1.99 111.801 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -56.34 -47.74 78.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.723 0.297 . . . . 2.29 110.972 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.521 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.0 mp -69.66 -36.97 76.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 1.65 111.401 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 26' ' ' GLU . 58.0 mt -59.11 -48.58 86.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 1.27 111.885 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 23.2 mm-40 -57.23 -41.57 79.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.034 -0.53 . . . . 1.44 111.504 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -68.76 -31.73 70.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.371 . . . . 2.84 111.223 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.14 -49.33 12.92 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.931 -0.652 . . . . 0.83 112.819 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -65.49 -32.16 73.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.738 0.304 . . . . 1.82 111.166 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.51 -19.88 65.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 1.89 110.945 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.2 mt -114.07 127.07 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 1.28 111.225 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.514 ' HB3' HE21 ' A' ' 8' ' ' GLN . 95.0 mttt -60.85 124.96 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 2.58 110.596 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.8 158.94 53.36 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.738 -0.744 . . . . 0.49 112.566 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 t -122.26 133.4 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.556 0.217 . . . . 0.8 110.59 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.529 ' HA ' HD13 ' A' ' 52' ' ' ILE . 80.0 p -135.16 128.04 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.01 0.433 . . . . 1.4 111.905 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -134.98 132.19 38.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 2.16 109.677 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.6 mt -125.06 122.3 62.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.236 0.458 . . . . 1.16 112.236 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.23 114.58 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.52 110.048 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -103.98 118.79 37.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 1.31 111.5 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -136.53 103.91 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.935 -0.575 . . . . 2.53 110.521 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.97 -94.64 0.18 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 1.77 112.242 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -127.96 -17.64 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 3.15 110.678 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -91.3 112.98 25.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.504 . . . . 2.71 110.729 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 63' ' ' PHE . 10.8 p -109.74 141.96 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 1.36 111.027 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.547 ' HG2' ' HB3' ' A' ' 62' ' ' GLU . 59.9 mttp -116.29 123.76 48.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.294 -0.412 . . . . 2.54 110.839 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.9 tp -110.43 123.48 49.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.935 -0.575 . . . . 1.69 110.767 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.1 m -118.28 126.71 52.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.63 111.149 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' A' ' 39' ' ' SER . 30.9 mm -130.56 125.92 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 1.76 110.057 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 91.5 m -105.3 128.09 53.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.049 0.452 . . . . 1.0 112.014 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 57' ' ' LYS . 34.0 m-85 -123.97 108.75 12.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.579 -0.737 . . . . 4.18 110.776 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.01 66.52 2.14 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.64 -0.791 . . . . 2.0 113.183 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 m 66.75 -0.03 1.74 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.781 0.659 . . . . 2.2 112.781 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 54' ' ' TYR . 39.5 ttpt -96.64 136.17 37.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.753 0.311 . . . . 2.51 110.608 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.9 t -105.26 126.42 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.381 -0.372 . . . . 1.38 111.444 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.441 HD11 ' HE3' ' A' ' 57' ' ' LYS . 50.7 mt -116.86 116.18 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 1.6 110.481 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -118.25 140.29 50.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.349 -0.387 . . . . 2.74 111.742 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -158.64 119.32 3.31 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.074 -0.512 . . . . 1.79 111.089 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.547 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 10.1 pt-20 -106.08 140.58 38.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.37 -0.377 . . . . 2.01 110.482 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 48' ' ' VAL . 1.8 p90 -148.83 152.3 36.26 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.03 0.443 . . . . 1.66 111.557 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -96.65 131.24 43.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.902 -0.59 . . . . 0.62 111.236 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' A' ' 65' ' ' LEU . 15.3 mt -52.92 134.14 37.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.729 -0.669 . . . . 1.57 110.98 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.31 44.07 98.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.8 112.389 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -153.12 148.93 27.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.719 0.295 . . . . 2.66 110.766 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.431 ' HA ' HG22 ' A' ' 82' ' ' VAL . 44.1 tt0 -81.32 119.04 23.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 1.32 110.62 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.6 t -119.8 158.29 26.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 1.86 110.61 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.449 ' C ' HD22 ' A' ' 71' ' ' LEU . 43.9 tt0 -95.18 119.07 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 1.71 111.052 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.449 HD22 ' C ' ' A' ' 70' ' ' GLU . 3.4 mm? -120.06 145.91 46.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.711 -0.677 . . . . 1.91 110.301 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -85.49 148.0 26.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.763 0.316 . . . . 2.11 110.423 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.7 p -95.49 177.97 5.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 1.76 110.947 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.92 -12.82 57.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 3.79 110.57 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.6 p -103.46 -1.75 27.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.605 . . . . 2.23 111.194 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.13 3.37 79.34 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.697 -0.763 . . . . 1.47 112.159 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.98 136.11 37.12 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.768 0.318 . . . . 1.94 110.822 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.442 ' HE2' ' HG2' ' A' ' 70' ' ' GLU . 13.6 mmmm -85.42 124.49 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 2.94 111.304 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.3 m -129.8 164.46 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.937 -0.574 . . . . 1.06 110.944 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -107.03 131.88 53.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 3.13 111.453 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.88 142.0 27.16 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 0.69 111.795 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 68' ' ' GLU . 66.0 t -103.91 120.12 53.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.044 -0.525 . . . . 1.4 110.885 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 t -100.24 117.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 1.26 110.203 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -127.27 151.26 48.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 2.11 111.305 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.8 mtm -110.74 120.75 43.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 2.62 110.779 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.696 ' H ' ' HA ' ' A' ' 91' ' ' MET . 9.3 tp10 -72.07 -10.79 60.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.059 0.457 . . . . 2.06 110.384 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.81 -124.7 3.88 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.703 -0.68 . . . . 1.62 112.808 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 7.6 m-20 -98.59 127.55 44.56 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.811 0.339 . . . . 2.84 110.859 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 38.9 t30 73.42 -10.1 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.328 -0.851 . . . . 2.22 111.889 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 128.74 38.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.085 0.469 . . . . 2.05 112.066 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.696 ' HA ' ' H ' ' A' ' 86' ' ' GLU . 61.7 mtt -141.1 135.48 30.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.582 -0.736 . . . . 1.96 110.104 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.4 117.95 56.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 120.949 0.404 . . . . 1.46 112.089 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 100' ' ' SER . 2.2 t -135.32 125.4 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 0.52 110.391 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.1 p -126.4 139.3 53.38 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.04 0.385 . . . . 1.23 112.04 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -138.73 133.54 32.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.01 -0.541 . . . . 0.96 110.666 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt 59.38 -88.6 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.233 -0.439 . . . . 2.52 111.05 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -149.72 3.66 0.62 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.018 -0.611 . . . . 0.83 111.906 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.51 HD12 ' N ' ' A' ' 98' ' ' ILE . 4.1 mp -90.91 139.57 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.638 0.256 . . . . 1.45 110.756 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -95.35 120.08 34.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.405 -0.361 . . . . 2.71 110.666 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.428 ' HB3' HG23 ' A' ' 93' ' ' THR . 47.6 t -121.54 120.88 36.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.044 -0.526 . . . . 1.23 111.156 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.5 t -120.35 122.76 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 0.59 110.205 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 87.2 m -112.22 125.52 54.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 0.59 111.844 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 33.3 mt-10 -96.48 128.35 43.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.966 -0.561 . . . . 2.1 109.851 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -109.21 116.52 32.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.163 0.506 . . . . 0.83 112.196 -178.711 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 108' ' ' THR . 4.1 m-20 -125.28 153.46 43.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.543 -0.753 . . . . 1.72 110.382 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.35 43.83 2.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.622 -0.799 . . . . 1.44 112.936 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -172.79 -41.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.732 0.301 . . . . 2.55 111.171 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 75.0 m -140.98 124.7 16.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 1.53 111.794 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 109' ' ' ILE . 1.9 mp -106.6 121.34 59.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.145 -0.48 . . . . 1.54 110.463 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.1 m -115.15 139.62 49.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.44 111.482 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.411 ' OD1' ' HG3' ' A' ' 113' ' ' MET . 26.3 t-20 -112.95 141.62 46.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 1.95 110.431 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.0 m -119.35 118.63 31.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.746 0.308 . . . . 0.57 111.799 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.571 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 60.8 mtt -124.27 121.33 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.51 110.264 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.7 m -126.57 122.28 34.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.56 111.445 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.424 HD12 HG12 ' A' ' 98' ' ' ILE . 8.8 tt -128.66 115.08 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.999 -0.546 . . . . 1.85 109.987 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.58 -73.45 1.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 1.8 112.194 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -164.1 16.93 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 2.23 110.643 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.427 HG22 ' OD1' ' A' ' 14' ' ' ASN . 4.0 mt -105.28 137.58 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.83 110.74 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.6 p -104.8 137.38 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.293 0.568 . . . . 1.35 112.359 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.571 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 42.2 t80 -131.18 119.91 22.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.192 -0.913 . . . . 1.67 109.658 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.583 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 48.7 mttm -127.64 129.35 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 2.05 111.353 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -112.4 122.1 46.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 2.32 110.253 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.51 120.72 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.41 110.784 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 80.1 p -131.87 132.76 43.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 1.14 111.193 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.24 133.15 51.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.985 -0.552 . . . . 2.04 110.552 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -71.15 143.86 50.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 3.09 111.006 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.2 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 1.31 111.154 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtp . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 120.844 0.354 . . . . 6.91 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -95.25 110.43 22.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 3.46 111.103 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 4' ' ' SER . 78.5 m-85 -149.63 108.18 3.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 3.4 110.603 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.558 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 42.0 t 68.59 139.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.865 -0.607 . . . . 1.53 111.353 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.58 156.43 13.27 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.777 -0.647 . . . . 0.54 112.224 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -97.02 130.6 44.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 2.38 110.922 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -134.83 145.38 48.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 1.13 110.919 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 124' ' ' SER . 6.6 tp60 -120.99 128.3 52.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 1.39 111.155 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 37' ' ' GLY . 10.9 m -69.96 142.93 15.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.921 -0.4 . . . . 1.24 109.921 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -129.2 -15.52 4.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.136 0.421 . . . . 2.2 112.136 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -165.73 151.73 9.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.234 0.54 . . . . 1.72 112.209 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 121' ' ' LYS . 6.3 tp-100 -145.35 144.64 30.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.257 -0.883 . . . . 2.01 110.071 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -106.13 139.2 41.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.625 0.25 . . . . 2.39 110.76 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 69.62 136.33 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.232 -0.44 . . . . 1.88 110.759 -179.493 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.584 ' HB3' HG21 ' A' ' 29' ' ' ILE . 97.3 m-85 -145.92 -65.7 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 3.26 111.489 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 19' ' ' MET . 15.2 mm-40 -51.63 -50.13 78.96 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.631 0.604 . . . . 1.96 112.631 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 36.9 Cg_endo -67.29 -40.65 10.64 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 121.426 1.417 . . . . 0.72 112.075 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.482 ' HB2' ' OD1' ' A' ' 14' ' ' ASN . 65.3 t80 -60.1 -52.17 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 1.46 111.465 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.559 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.67 -43.65 92.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 4.48 111.773 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 76.1 mttt -58.49 -42.27 87.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.473 -0.33 . . . . 2.27 111.425 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.17 -22.26 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.375 . . . . 0.85 111.323 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.8 tpt -95.21 -73.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 2.05 111.034 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.98 18.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.893 -0.67 . . . . 0.97 112.24 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' HD2' ' A' ' 25' ' ' PRO . 19.0 tp -91.02 130.66 39.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.418 0.151 . . . . 1.45 110.66 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.576 ' HD2' HD12 ' A' ' 24' ' ' LEU . 68.1 Cg_endo -72.26 132.42 19.37 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.587 2.191 . . . . 0.94 112.385 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 10.5 pt-20 -50.98 -26.74 6.4 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.968 -0.56 . . . . 1.99 111.914 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.99 -45.58 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.764 0.316 . . . . 2.29 111.041 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD13 ' HG2' ' A' ' 25' ' ' PRO . 9.9 mp -68.95 -39.24 79.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 1.65 112.051 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 15' ' ' PHE . 2.7 mp -61.68 -46.34 96.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 111.761 0.282 . . . . 1.27 111.761 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 30.1 mm-40 -54.82 -43.58 73.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.845 0.355 . . . . 1.44 111.144 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -70.02 -32.1 70.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.359 . . . . 2.84 111.703 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.76 -31.6 32.32 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.796 -0.716 . . . . 0.83 114.085 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -66.46 -29.74 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.168 0.484 . . . . 1.82 111.127 -179.22 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -83.22 -7.39 59.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.36 . . . . 1.89 110.755 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.5 mt -114.3 121.07 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.28 111.158 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -73.3 102.29 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 2.58 110.641 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.423 ' O ' HG22 ' A' ' 9' ' ' VAL . . . -59.24 171.38 5.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.944 -0.646 . . . . 0.49 112.665 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.06 145.76 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.386 . . . . 0.8 111.254 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 52' ' ' ILE . 51.0 m -134.33 129.56 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.975 -0.557 . . . . 1.4 110.654 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -131.03 124.78 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 2.16 110.574 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.8 mt -108.7 119.15 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 1.16 111.455 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 48.8 t -108.03 114.75 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 0.52 110.769 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.558 ' H ' ' HB2' ' A' ' 4' ' ' SER . 25.7 t-80 -103.19 116.1 31.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.483 -0.326 . . . . 1.31 110.805 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -138.19 101.44 4.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.315 -0.402 . . . . 2.53 111.465 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 46.17 69.22 0.86 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.101 -0.499 . . . . 1.77 113.663 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 68.44 -20.68 0.14 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.214 0.45 . . . . 3.15 112.214 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 45' ' ' GLY . 50.5 mtmt -90.92 108.43 19.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 2.71 110.536 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.4 t -109.36 128.4 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 1.36 111.445 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -106.76 134.32 50.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 2.54 110.683 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' HB2' ' HE2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -106.1 125.15 50.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.69 110.588 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 71.7 m -120.69 127.43 52.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.63 111.266 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 39' ' ' SER . 46.2 mm -129.54 125.67 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 1.76 110.42 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.7 m -110.52 130.53 55.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.935 0.398 . . . . 1.0 111.881 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -121.5 109.2 14.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.908 -0.587 . . . . 4.18 110.606 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.25 -83.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 2.0 112.709 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.2 p -138.55 15.36 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.697 0.284 . . . . 2.2 111.141 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -111.8 135.5 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 2.51 110.941 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.2 t -109.55 126.68 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 1.38 110.592 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 51' ' ' THR . 50.5 mm -112.65 116.51 52.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 1.6 110.894 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -114.17 136.8 52.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 2.74 111.2 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -139.33 160.4 39.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.108 -0.496 . . . . 1.79 110.834 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -138.01 135.56 36.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 2.01 110.845 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.48 ' HE2' ' HB2' ' A' ' 50' ' ' LEU . 29.7 p90 -148.82 151.83 35.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 1.66 111.295 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' A' ' 67' ' ' GLU . 24.7 m -107.26 127.87 53.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 0.62 111.026 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.48 136.7 58.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.236 -0.438 . . . . 1.57 110.816 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.515 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 62.77 34.86 90.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.8 112.31 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 39.0 tt0 -155.97 128.25 7.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 2.66 111.198 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 42.0 tt0 -74.44 119.19 18.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.173 -0.467 . . . . 1.32 110.776 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.2 t -119.12 157.56 27.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.86 110.667 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -95.72 120.27 35.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 1.71 111.071 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.2 tp -119.27 144.42 46.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 1.91 110.72 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -88.06 146.85 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 2.11 110.731 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.605 HG23 ' H ' ' A' ' 75' ' ' THR . 8.9 t -92.03 177.56 6.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.446 . . . . 1.76 110.308 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 49.0 ttp -66.38 -15.4 63.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.683 0.278 . . . . 3.79 111.043 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.605 ' H ' HG23 ' A' ' 73' ' ' THR . 18.4 p -93.33 -8.51 41.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.454 -0.339 . . . . 2.23 111.166 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.87 -5.08 63.63 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.698 -0.763 . . . . 1.47 112.894 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.48 140.31 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 1.94 111.104 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -91.45 119.29 31.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 2.94 110.805 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.11 148.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 1.06 111.088 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -95.9 133.66 39.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.305 -0.407 . . . . 3.13 110.827 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.75 142.48 27.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.69 111.539 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 4.5 p -114.49 118.81 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 1.4 110.951 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -109.1 122.52 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 1.26 111.056 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.515 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 39.7 mtmt -133.2 151.33 51.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 2.11 110.799 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.1 ptm -98.3 144.25 27.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 2.62 110.438 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -98.33 -12.23 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 2.06 110.83 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.39 -120.16 2.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 1.62 113.027 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.405 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 19.5 t70 -91.68 129.45 37.65 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.071 0.462 . . . . 2.84 110.981 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.602 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 8.6 p30 51.39 12.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.151 -0.931 . . . . 2.22 112.868 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -137.8 125.6 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 2.05 112.092 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.4 mtt -141.39 133.59 27.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.532 -0.758 . . . . 1.96 110.004 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.5 t -112.17 118.15 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.988 0.423 . . . . 1.46 111.765 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.523 HG23 ' HB2' ' A' ' 100' ' ' SER . 5.0 t -134.35 122.98 23.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 0.52 110.366 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.6 m -126.42 140.21 52.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 1.23 111.521 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -138.66 130.37 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.96 110.99 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp 60.16 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.083 -0.508 . . . . 2.52 111.525 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.14 15.58 0.88 Allowed Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.699 -0.762 . . . . 0.83 112.564 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.534 HD12 ' HB3' ' A' ' 115' ' ' LEU . 45.0 mm -104.45 138.04 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 1.45 110.881 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.65 118.25 32.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 2.71 110.425 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.523 ' HB2' HG23 ' A' ' 93' ' ' THR . 57.9 m -122.14 120.98 35.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 1.23 111.282 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.0 t -124.03 121.95 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.59 110.64 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 84.7 m -114.88 128.4 56.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.983 -0.553 . . . . 0.59 111.605 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 39.6 mt-10 -96.46 123.45 40.12 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.848 -0.427 . . . . 2.1 109.848 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.602 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -101.65 117.53 35.08 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.715 0.635 . . . . 0.83 112.715 -178.154 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -124.47 153.17 42.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.523 -0.762 . . . . 1.72 110.413 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.25 39.69 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 1.44 112.772 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -172.74 -29.75 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.67 0.235 . . . . 2.55 111.536 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.4 p -140.9 146.31 37.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.767 0.318 . . . . 1.53 111.583 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.9 mm -125.38 120.49 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 1.54 111.088 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.9 m -115.91 138.11 51.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.166 -0.47 . . . . 0.44 111.225 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 121' ' ' LYS . 28.6 t-20 -121.93 138.67 54.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 1.95 110.586 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' SER . 2.9 m -120.1 120.53 36.51 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.93 0.345 . . . . 0.57 111.93 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.537 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 66.7 mtt -124.57 120.85 33.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 1.51 110.036 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.8 m -121.32 121.05 36.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.056 0.455 . . . . 0.56 111.644 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.534 ' HB3' HD12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -145.2 115.88 7.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.744 -0.662 . . . . 1.85 110.462 179.411 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.26 47.57 83.45 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.608 -0.806 . . . . 1.8 112.744 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.8 t70 67.13 3.11 3.03 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.776 0.287 . . . . 2.23 111.776 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 29.1 mt -87.77 136.72 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.83 111.172 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.8 t -111.72 117.89 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.131 0.491 . . . . 1.35 111.848 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.537 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 21.7 t80 -116.79 118.05 31.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.573 -0.74 . . . . 1.67 109.241 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.465 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 39.2 ttpt -129.26 124.34 34.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.691 0.281 . . . . 2.05 111.679 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -102.4 123.95 47.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.014 0.435 . . . . 2.32 111.067 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.46 120.6 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.717 -0.674 . . . . 0.41 110.376 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 17.3 m -129.71 144.97 51.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.965 0.412 . . . . 1.14 111.574 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -109.06 149.5 29.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.747 -0.66 . . . . 2.04 110.787 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -70.67 138.76 50.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 3.09 111.219 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 pt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 1.31 111.147 179.873 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.807 0.337 . . . . 6.91 110.738 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -85.45 115.06 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 3.46 111.218 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -141.9 -46.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 3.4 110.882 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -99.88 134.66 42.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 1.53 111.003 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.32 168.04 28.9 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.789 -0.719 . . . . 0.54 112.589 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.556 ' HD2' HD11 ' A' ' 127' ' ' ILE . 17.4 ttmm -110.83 128.68 55.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.35 . . . . 2.38 110.92 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -120.85 141.14 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.13 110.434 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.583 HE21 ' HB3' ' A' ' 36' ' ' LYS . 57.2 tp60 -116.39 127.1 54.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 1.39 111.204 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.72 140.18 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 1.24 110.73 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -129.4 -17.97 3.67 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.452 -0.34 . . . . 2.2 111.819 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 t -167.67 161.4 13.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.988 0.423 . . . . 1.72 111.604 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.01 154.62 42.08 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.879 -0.6 . . . . 2.01 110.703 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -109.01 129.74 55.46 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.643 0.258 . . . . 2.39 111.198 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 66.05 117.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.321 -0.399 . . . . 1.88 111.162 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -121.75 -64.83 1.18 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.979 0.419 . . . . 3.26 111.436 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 34.7 mt-10 -55.27 -46.27 99.72 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 112.779 0.659 . . . . 1.96 112.779 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 61.6 Cg_exo -52.49 -41.26 68.82 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 121.646 1.564 . . . . 0.72 113.14 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.505 ' HD2' HD11 ' A' ' 29' ' ' ILE . 59.8 t80 -58.28 -52.23 66.45 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.556 0.576 . . . . 1.46 112.556 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.685 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 1.9 ppp? -59.82 -36.24 76.38 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.815 0.302 . . . . 4.48 111.815 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 63.8 mttm -61.17 -45.93 92.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.292 0.478 . . . . 2.27 112.292 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.77 -76.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.37 0.507 . . . . 0.85 112.37 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.3 tpp -44.79 -23.39 0.13 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.31 -0.859 . . . . 2.05 112.405 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.89 10.32 58.89 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.437 -0.887 . . . . 0.97 111.17 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.685 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 21.0 tp -74.51 147.1 84.56 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.203 -0.666 . . . . 1.45 109.203 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.532 ' HD2' HD12 ' A' ' 24' ' ' LEU . 91.5 Cg_endo -78.03 128.51 9.16 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.201 1.934 . . . . 0.94 112.097 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.539 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 39.9 tt0 -52.59 -25.99 12.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.361 -0.381 . . . . 1.99 110.984 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.07 -46.71 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.52 -0.309 . . . . 2.29 110.917 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.481 HD13 ' HG2' ' A' ' 25' ' ' PRO . 9.7 mp -66.54 -41.03 89.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 1.65 111.229 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.505 HD11 ' HD2' ' A' ' 18' ' ' PHE . 7.7 mt -63.73 -46.29 94.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 1.27 110.996 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -63.72 -38.61 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.44 110.988 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -67.86 -31.68 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 2.84 110.728 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.16 -49.52 15.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.859 -0.686 . . . . 0.83 112.704 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -60.29 -29.18 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 1.82 111.072 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -68.84 -47.82 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 1.89 110.947 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.58 120.12 37.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 1.28 111.205 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HB3' HE21 ' A' ' 8' ' ' GLN . 45.8 mmtm -59.26 121.44 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.38 -0.373 . . . . 2.58 110.318 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.58 159.06 52.91 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.852 -0.689 . . . . 0.49 112.865 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' ILE . 21.2 t -122.81 136.52 59.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 0.8 110.485 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 52' ' ' ILE . 78.1 p -135.3 130.91 35.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.956 0.408 . . . . 1.4 111.442 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -134.75 126.31 28.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 2.16 110.421 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.9 mt -113.09 125.21 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 1.16 111.817 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -106.51 114.73 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.52 109.445 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -101.44 116.76 33.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.091 0.472 . . . . 1.31 111.842 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.6 101.72 4.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.766 -0.652 . . . . 2.53 110.065 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.41 -102.24 0.25 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.725 -0.75 . . . . 1.77 112.076 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -118.01 -9.07 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 3.15 110.431 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -95.59 111.12 23.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.965 -0.561 . . . . 2.71 110.723 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -115.28 133.58 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 1.36 111.107 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -112.13 133.22 54.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 2.54 110.936 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tt -115.69 126.68 54.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 1.69 110.54 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -118.95 127.44 53.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.63 111.549 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 39' ' ' SER . 45.1 mm -126.45 133.13 69.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 1.76 110.508 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.4 m -118.02 130.72 56.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 1.0 111.563 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.54 ' HB3' ' H51' ' A' ' 128' ' ' OLA . 56.1 m-85 -121.22 108.48 13.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.913 -0.585 . . . . 4.18 110.543 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.53 -84.22 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 2.0 112.614 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.6 p -139.99 14.97 2.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.758 0.313 . . . . 2.2 111.118 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -109.77 130.45 55.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.434 -0.348 . . . . 2.51 110.939 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 p -98.89 131.58 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 1.38 110.786 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.4 mt -120.7 115.97 48.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 1.6 110.578 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -113.18 128.5 56.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 2.74 111.22 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.444 ' ND2' HD11 ' A' ' 71' ' ' LEU . 15.8 m120 -135.38 161.27 35.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.149 -0.478 . . . . 1.79 110.998 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.63 139.88 28.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 2.01 110.369 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.471 ' CD1' HG11 ' A' ' 83' ' ' VAL . 7.8 p90 -148.28 151.76 35.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.01 0.433 . . . . 1.66 111.409 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.4 m -102.76 130.64 49.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.907 -0.588 . . . . 0.62 110.989 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD13 ' SD ' ' A' ' 85' ' ' MET . 38.7 mt -70.06 136.91 50.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 1.57 111.212 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.67 15.1 79.43 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.981 -0.628 . . . . 0.8 113.15 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -146.71 145.71 30.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.983 0.42 . . . . 2.66 111.381 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -76.62 119.99 21.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.865 -0.607 . . . . 1.32 110.387 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.4 m -118.64 151.04 38.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 1.86 111.044 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -98.77 119.84 38.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 1.71 110.921 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.444 HD11 ' ND2' ' A' ' 61' ' ' ASN . 30.2 tp -119.95 146.49 45.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 1.91 110.798 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -85.16 125.15 32.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.493 . . . . 2.11 110.99 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.5 p -75.03 170.61 15.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 1.76 111.207 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -13.11 61.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 3.79 110.84 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.2 p -92.82 -21.31 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 2.23 111.088 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.3 6.83 35.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.873 -0.68 . . . . 1.47 112.219 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -90.28 141.31 28.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 1.94 110.736 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -86.82 121.25 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 2.94 110.844 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.6 m -125.51 150.22 30.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 1.06 111.182 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -113.53 132.68 55.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 3.13 110.45 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 95' ' ' PHE . . . -146.17 143.24 29.15 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.052 0.39 . . . . 0.69 112.052 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.42 117.99 44.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.897 -0.592 . . . . 1.4 110.883 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 63' ' ' PHE . 3.2 p -109.48 119.5 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 1.26 111.219 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' A' ' 84' ' ' LYS . 9.8 mtpm? -118.04 151.5 37.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.23 -0.441 . . . . 2.11 110.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.453 ' SD ' HD13 ' A' ' 65' ' ' LEU . 17.9 ptt? -115.48 139.28 50.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.33 -0.396 . . . . 2.62 110.992 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -105.73 -15.69 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.524 . . . . 2.06 110.183 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.73 18.46 56.61 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.51 -0.768 . . . . 1.62 112.823 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -150.28 75.24 1.23 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.277 . . . . 2.84 111.603 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 2.5 m120 53.73 15.51 0.81 Allowed 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.673 0.62 . . . . 2.22 112.673 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -134.95 130.57 36.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.431 0.634 . . . . 2.05 112.545 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.622 ' HB2' ' HB ' ' A' ' 102' ' ' THR . 96.8 mmm -141.45 124.09 15.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.984 -1.007 . . . . 1.96 109.435 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.0 118.81 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.049 0.452 . . . . 1.46 112.182 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.637 HG23 ' HB2' ' A' ' 100' ' ' SER . 2.6 t -134.19 119.6 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.52 110.349 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 83.2 m -119.48 128.34 53.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.558 -0.292 . . . . 1.23 111.432 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.4 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 39.4 p90 -135.82 131.31 35.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.96 110.973 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 59.41 -85.71 0.02 OUTLIER 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.965 -0.561 . . . . 2.52 111.35 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.67 1.38 0.34 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.853 -0.689 . . . . 0.83 112.387 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 98' ' ' ILE . 3.5 mp -90.19 136.86 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.642 0.258 . . . . 1.45 110.824 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -97.4 120.4 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 2.71 110.806 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.637 ' HB2' HG23 ' A' ' 93' ' ' THR . 70.7 m -121.94 121.25 36.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.161 -0.472 . . . . 1.23 111.139 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 t -120.11 122.6 68.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.09 -0.504 . . . . 0.59 110.486 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.622 ' HB ' ' HB2' ' A' ' 91' ' ' MET . 86.5 m -114.34 128.79 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.422 -0.354 . . . . 0.59 111.812 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 32.6 tt0 -96.5 120.32 36.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.417 -0.586 . . . . 2.1 109.417 178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.571 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -94.92 116.47 28.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.338 0.589 . . . . 0.83 112.533 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 108' ' ' THR . 30.0 m-20 -125.43 153.07 44.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.507 -0.769 . . . . 1.72 110.328 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.35 23.47 6.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.46 -0.876 . . . . 1.44 112.045 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -146.27 -45.07 0.19 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.614 0.245 . . . . 2.55 111.416 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 26.7 m -140.53 126.62 19.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.821 0.343 . . . . 1.53 111.496 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.442 ' N ' HD12 ' A' ' 109' ' ' ILE . 1.8 mp -102.25 120.83 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 1.54 110.628 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.9 m -115.91 139.81 49.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.058 -0.519 . . . . 0.44 111.649 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.675 ' HB3' ' HG2' ' A' ' 122' ' ' ARG . 40.7 t30 -124.06 141.94 51.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.692 0.282 . . . . 1.95 110.791 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 100' ' ' SER . 5.5 m -117.64 123.28 45.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.322 -0.399 . . . . 0.57 111.724 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.477 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 88.8 mtp -124.71 120.74 32.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 1.51 110.099 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 98' ' ' ILE . 37.4 m -113.55 121.51 44.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.379 . . . . 0.56 111.832 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.428 HD13 ' C ' ' A' ' 115' ' ' LEU . 3.2 tm? -144.71 115.86 7.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 1.85 110.135 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.65 43.76 95.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.518 -0.849 . . . . 1.8 112.29 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 67.44 3.24 3.23 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.387 0.275 . . . . 2.23 111.644 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.438 HD13 ' C ' ' A' ' 17' ' ' PRO . 17.2 mt -88.78 137.82 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.83 111.308 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.1 t -107.53 116.64 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.176 0.513 . . . . 1.35 111.307 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.477 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 36.0 t80 -113.39 118.61 35.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.844 -0.798 . . . . 1.67 108.844 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -128.08 129.48 46.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.549 -0.296 . . . . 2.05 111.547 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.675 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 12.0 ptp180 -107.34 133.77 51.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.917 0.389 . . . . 2.32 110.962 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.67 119.84 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.41 110.7 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 80.4 p -131.57 141.38 49.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.438 -0.347 . . . . 1.14 111.247 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -105.77 148.77 27.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.204 -0.453 . . . . 2.04 110.723 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -84.75 126.43 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 3.09 111.174 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.556 HD11 ' HD2' ' A' ' 6' ' ' LYS . 22.4 pt . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.013 -0.54 . . . . 1.31 111.085 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' OLA . . . . . 0.54 ' H51' ' HB3' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.858 0.361 . . . . 6.91 110.81 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -109.63 127.01 54.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 3.46 111.015 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 72.81 -34.44 0.3 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.89 -0.595 . . . . 3.4 112.188 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB2' ' HB3' ' A' ' 43' ' ' HIS . 38.7 t 56.41 94.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.931 0.396 . . . . 1.53 110.424 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.52 177.32 40.84 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.689 -0.767 . . . . 0.54 112.652 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -108.55 129.86 55.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.958 0.409 . . . . 2.38 111.496 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.41 ' HB3' ' HB3' ' A' ' 124' ' ' SER . 25.8 m-85 -118.01 150.02 39.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.836 -0.62 . . . . 1.13 110.125 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -117.5 128.12 54.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.012 0.375 . . . . 1.39 112.012 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.73 117.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.918 -0.583 . . . . 1.24 110.163 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.408 ' HG3' ' NZ ' ' A' ' 125' ' ' LYS . 81.4 mm-40 -93.05 -34.96 13.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.1 0.408 . . . . 2.2 112.1 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.1 p -165.56 168.53 16.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 1.72 111.56 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.51 140.74 30.44 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.873 -0.603 . . . . 2.01 110.573 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.94 131.66 40.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.518 -0.31 . . . . 2.39 111.441 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 63.5 98.09 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.204 -0.453 . . . . 1.88 110.897 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.46 -55.6 2.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 3.26 111.139 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.55 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 44.1 mt-10 -50.85 -50.0 76.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.299 0.481 . . . . 1.96 112.299 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 27.3 Cg_endo -62.8 -40.3 36.9 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 121.918 1.745 . . . . 0.72 112.995 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CA ' HG21 ' A' ' 118' ' ' ILE . 8.0 t80 -67.7 -52.1 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.997 0.427 . . . . 1.46 111.56 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.616 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.72 -43.97 97.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.901 -0.59 . . . . 4.48 112.299 -178.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' N ' ' SD ' ' A' ' 19' ' ' MET . 13.5 tttm -70.55 -38.41 74.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.271 -0.422 . . . . 2.27 111.742 -178.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -9.21 19.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.85 110.836 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.5 tpt -104.39 -67.7 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 2.05 110.812 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.75 6.66 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.948 -0.644 . . . . 0.97 112.25 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.616 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 18.6 tp -83.41 129.22 61.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 110.575 -0.157 . . . . 1.45 110.575 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.624 ' O ' HD12 ' A' ' 29' ' ' ILE . 71.6 Cg_endo -75.11 129.29 12.11 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.429 2.086 . . . . 0.94 112.163 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.517 ' HA ' HD13 ' A' ' 29' ' ' ILE . 13.7 pt-20 -48.88 -25.74 2.07 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.127 -0.488 . . . . 1.99 112.018 -178.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.61 -47.56 83.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.8 0.334 . . . . 2.29 110.741 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.596 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.1 mp -69.48 -37.88 77.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.465 . . . . 1.65 111.647 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 25' ' ' PRO . 3.7 mp -62.28 -43.21 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.616 -0.266 . . . . 1.27 111.275 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.64 -46.6 89.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 1.44 111.412 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.81 -31.39 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 2.84 111.471 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.48 -34.97 30.51 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.841 -0.695 . . . . 0.83 113.431 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.94 -25.09 61.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.908 0.354 . . . . 1.82 111.057 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.67 -29.99 71.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.89 110.806 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.3 mt -102.45 122.67 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.28 110.961 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -59.34 122.26 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 2.58 110.871 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.59 159.33 34.7 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.821 -0.704 . . . . 0.49 112.519 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 52' ' ' ILE . 21.9 t -122.34 133.72 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.715 0.293 . . . . 0.8 110.765 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 m -135.19 135.95 41.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.353 -0.385 . . . . 1.4 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -134.86 129.65 34.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 2.16 110.795 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.422 HD12 HD21 ' A' ' 50' ' ' LEU . 4.0 mm -110.74 118.65 57.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.905 0.383 . . . . 1.16 111.359 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 49' ' ' LYS . 46.9 t -107.85 123.09 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.691 -0.686 . . . . 0.52 110.227 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 4' ' ' SER . 15.2 t-80 -107.56 116.18 31.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 1.31 111.62 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -137.62 102.01 4.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.984 -0.553 . . . . 2.53 110.33 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.58 -105.3 0.79 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.643 -0.789 . . . . 1.77 111.996 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HG3' ' HD3' ' A' ' 47' ' ' LYS . 16.1 ptpt -118.78 -8.15 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 3.15 110.465 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HD3' ' HG3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -96.56 116.29 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 2.71 110.437 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 63' ' ' PHE . 10.1 p -105.39 136.81 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 1.36 111.086 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.551 ' HB2' ' HB ' ' A' ' 42' ' ' VAL . 7.6 mtpm? -109.32 123.61 49.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.159 -0.473 . . . . 2.54 110.654 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.422 HD21 HD12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -112.9 123.48 50.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 1.69 110.444 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.5 m -125.34 127.13 46.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.317 -0.401 . . . . 0.63 111.241 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 58.3 mt -128.9 123.99 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.848 -0.615 . . . . 1.76 110.154 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.5 m -111.46 129.89 55.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.002 0.429 . . . . 1.0 111.777 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.606 ' HB3' ' H51' ' A' ' 128' ' ' OLA . 41.4 m-85 -121.57 109.15 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.721 -0.672 . . . . 4.18 110.772 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.37 -83.86 0.13 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.794 -0.717 . . . . 2.0 112.732 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.4 t -138.96 16.48 2.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.33 . . . . 2.2 111.139 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -115.35 133.0 56.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 2.51 110.907 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.8 t -109.33 126.51 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.38 110.636 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.2 mm -113.08 116.51 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.6 110.968 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -112.84 131.98 55.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.181 -0.463 . . . . 2.74 111.348 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 71' ' ' LEU . 19.6 m120 -152.46 122.58 7.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 1.79 110.705 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -115.38 143.33 45.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 2.01 110.706 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.518 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -147.1 150.8 35.74 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.085 0.469 . . . . 1.66 111.27 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 46.0 m -97.37 131.09 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 0.62 111.227 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -57.5 140.44 50.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 1.57 110.913 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 60.32 48.5 85.84 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.849 -0.691 . . . . 0.8 112.678 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -167.21 143.87 4.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.804 0.335 . . . . 2.66 111.096 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.9 119.76 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.32 110.925 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.7 m -118.54 157.4 27.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.416 . . . . 1.86 110.729 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -116.64 119.93 37.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 1.71 111.161 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.428 ' HB2' ' ND2' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -120.06 145.76 46.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.037 -0.529 . . . . 1.91 110.859 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.41 127.78 34.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.772 -0.649 . . . . 2.11 110.743 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.0 p -84.88 178.05 7.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.042 -0.526 . . . . 1.76 111.168 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -62.98 -37.21 86.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 3.79 110.51 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.4 p -64.77 -18.27 64.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.025 -0.534 . . . . 2.23 110.974 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.49 -3.96 61.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.958 -0.639 . . . . 1.47 111.94 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.13 143.55 33.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 1.94 110.827 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -92.5 119.39 31.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 2.94 110.964 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.73 139.09 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 1.06 111.457 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -107.87 132.85 53.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 3.13 110.876 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.67 146.98 30.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.395 . . . . 0.69 111.953 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.33 119.71 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.942 -0.572 . . . . 1.4 110.533 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 p -108.97 122.52 63.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.205 -0.452 . . . . 1.26 111.185 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 42.3 mtpt -134.52 151.21 50.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.461 . . . . 2.11 110.691 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 ptm -101.37 135.79 42.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 2.62 110.742 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -89.89 -15.47 32.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.964 0.412 . . . . 2.06 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.83 -118.74 2.13 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.734 -0.746 . . . . 1.62 113.085 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.39 123.2 46.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.032 0.444 . . . . 2.84 111.47 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.501 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 15.4 m120 73.17 -3.54 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.11 -0.95 . . . . 2.22 112.505 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.74 130.11 45.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.587 . . . . 2.05 112.316 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 23.8 mmt -140.45 136.74 33.32 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.203 -0.908 . . . . 1.96 109.519 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.96 119.71 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.2 0.524 . . . . 1.46 112.278 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 100' ' ' SER . 4.6 t -133.83 132.8 40.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.52 110.51 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.5 m -121.49 126.39 49.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.648 0.261 . . . . 1.23 111.472 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -138.64 136.68 36.15 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.247 -0.433 . . . . 0.96 111.051 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 52.82 -94.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.086 -0.506 . . . . 2.52 111.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.61 -6.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.97 -0.634 . . . . 0.83 112.133 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 82.4 mt -89.69 137.77 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 1.45 110.665 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -97.13 127.03 42.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 2.71 110.944 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.495 ' HB3' HG23 ' A' ' 93' ' ' THR . 39.6 t -121.7 120.48 34.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 1.23 111.096 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.0 t -116.2 122.97 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.59 109.832 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.2 m -113.62 128.14 56.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.963 0.411 . . . . 0.59 112.077 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 35.4 tt0 -96.15 122.95 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.738 -0.838 . . . . 2.1 108.738 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -105.9 117.03 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.168 0.509 . . . . 0.83 112.344 -178.312 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -125.85 153.73 43.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.825 -0.625 . . . . 1.72 110.241 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.39 40.27 1.74 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.614 -0.803 . . . . 1.44 112.877 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.35 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.66 0.266 . . . . 2.55 111.357 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.5 p -141.2 145.73 36.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.817 0.342 . . . . 1.53 111.585 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.1 mt -124.2 123.25 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 1.54 110.74 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 m -112.93 139.0 48.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.44 111.072 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.419 ' ND2' ' HE ' ' A' ' 122' ' ' ARG . 37.1 m-80 -121.49 135.08 55.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.408 . . . . 1.95 110.794 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -119.53 117.5 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.57 111.526 -179.579 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.57 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 64.0 mtt -123.64 120.6 33.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 1.51 109.833 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 97.6 m -121.42 121.93 38.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.863 0.363 . . . . 0.56 111.395 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -132.51 116.38 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 1.85 110.468 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.72 -77.16 0.95 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.632 -0.794 . . . . 1.8 111.734 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -155.85 4.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 2.23 111.09 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 17' ' ' PRO . 3.3 mm -89.29 137.47 21.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 111.893 0.331 . . . . 0.83 111.893 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -105.52 120.45 56.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 1.35 111.001 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.57 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 45.5 t80 -114.12 119.34 36.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 1.67 110.755 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -129.4 123.99 33.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 2.05 110.943 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.419 ' HE ' ' ND2' ' A' ' 111' ' ' ASN . 18.7 ttp180 -108.21 129.42 55.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.392 . . . . 2.32 111.023 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.69 119.81 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 0.41 110.431 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' A' ' 7' ' ' TYR . 19.4 m -131.24 148.54 52.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 1.14 111.385 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.408 ' NZ ' ' HG3' ' A' ' 10' ' ' GLN . 5.6 ptpp? -128.46 146.07 50.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.929 -0.578 . . . . 2.04 110.709 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -72.14 135.26 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 3.09 111.056 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 30.4 pt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 1.31 111.041 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 128' ' ' OLA . . . . . 0.606 ' H51' ' HB3' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.732 0.301 . . . . 6.91 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -82.33 115.35 21.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 3.46 110.919 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -143.72 -41.44 0.28 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.233 -0.44 . . . . 3.4 110.912 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 t -102.02 136.35 42.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 1.53 111.127 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.46 151.7 9.1 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.933 -0.651 . . . . 0.54 112.253 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HE3' HD11 ' A' ' 127' ' ' ILE . 61.9 tttp -94.54 118.86 32.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 2.38 111.077 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -117.14 146.82 42.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.916 -0.584 . . . . 1.13 110.248 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 124' ' ' SER . 7.5 tp60 -122.38 128.25 50.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.861 0.363 . . . . 1.39 111.866 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.586 HG22 ' HE ' ' A' ' 122' ' ' ARG . 47.2 t -70.76 127.87 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.945 -0.57 . . . . 1.24 109.995 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -104.45 -30.38 10.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.132 0.419 . . . . 2.2 112.132 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.1 p -166.38 164.04 17.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.202 0.525 . . . . 1.72 111.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 121' ' ' LYS . 4.5 tp-100 -145.58 147.62 32.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.464 -0.789 . . . . 2.01 110.228 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -97.58 127.39 43.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.555 -0.293 . . . . 2.39 110.747 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 67.81 145.48 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.331 -0.395 . . . . 1.88 111.002 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -146.71 -57.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.056 0.455 . . . . 3.26 111.347 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 42.3 mt-10 -54.21 -50.09 86.6 Favored Pre-proline 0 CA--C 1.535 0.373 0 N-CA-C 112.767 0.655 . . . . 1.96 112.767 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 51.3 Cg_endo -68.19 -42.5 5.72 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.608 1.539 . . . . 0.72 113.62 -178.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.18 -51.81 61.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.906 0.384 . . . . 1.46 111.173 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.605 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 26.5 mmt -63.72 -43.09 97.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.931 -0.577 . . . . 4.48 111.657 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -59.2 -41.63 88.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.749 0.309 . . . . 2.27 110.687 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.39 -22.23 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.85 110.319 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.0 tpt -89.6 -75.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.779 -0.646 . . . . 2.05 110.596 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.02 39.19 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.835 -0.62 . . . . 0.97 112.302 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 14.2 tp -115.64 134.82 22.61 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.48 0.181 . . . . 1.45 110.87 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HG2' HD13 ' A' ' 28' ' ' LEU . 74.0 Cg_endo -73.93 135.64 21.57 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.632 2.222 . . . . 0.94 112.906 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.771 ' HA ' HD12 ' A' ' 29' ' ' ILE . 45.1 mt-10 -52.07 -33.45 39.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 1.99 111.816 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.11 -48.58 79.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.663 0.268 . . . . 2.29 111.222 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HG ' ' H31' ' A' ' 128' ' ' OLA . 11.1 mp -70.62 -37.38 73.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.293 -0.412 . . . . 1.65 111.387 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 26' ' ' GLU . 30.9 mt -60.67 -46.78 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 1.27 112.192 -178.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 29.9 mm-40 -60.4 -42.39 95.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.741 0.305 . . . . 1.44 111.178 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -69.28 -32.37 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 2.84 111.21 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.46 -47.22 22.78 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.849 -0.691 . . . . 0.83 112.932 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -61.75 -31.34 71.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.763 0.316 . . . . 1.82 111.102 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.81 -21.01 65.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 1.89 110.669 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -111.87 123.5 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 1.28 111.015 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -59.66 114.62 2.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 2.58 110.644 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.76 156.21 13.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.717 . . . . 0.49 112.731 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.6 t -122.2 133.05 69.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.699 0.285 . . . . 0.8 110.714 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 m -136.07 134.62 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.935 0.397 . . . . 1.4 111.408 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -134.86 134.85 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 2.16 110.129 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mt -123.16 119.09 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.986 0.422 . . . . 1.16 112.127 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -108.03 114.3 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.52 109.562 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -115.98 116.61 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.026 0.441 . . . . 1.31 111.822 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -137.82 102.0 4.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.855 -0.611 . . . . 2.53 110.909 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 64.72 57.59 12.12 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.887 -0.673 . . . . 1.77 113.006 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 mttp 66.78 -8.96 0.37 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.808 0.299 . . . . 3.15 111.808 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' GLY . 79.3 tttt -91.01 108.54 19.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.02 -0.363 . . . . 2.71 110.02 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 63' ' ' PHE . 9.1 p -107.39 142.31 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.419 0.526 . . . . 1.36 112.419 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -126.76 123.97 38.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.519 -0.764 . . . . 2.54 109.595 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD11 ' H31' ' A' ' 129' ' ' OLA . 1.7 tt -111.35 130.45 55.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.911 0.386 . . . . 1.69 111.221 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.502 ' N ' HD23 ' A' ' 50' ' ' LEU . 49.0 m -122.44 126.78 48.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.63 110.982 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.5 mt -127.38 126.51 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.534 . . . . 1.76 110.59 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.9 m -117.12 131.03 56.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 1.0 111.796 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -120.86 109.12 14.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.904 -0.589 . . . . 4.18 110.559 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.85 -84.74 0.11 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.699 -0.763 . . . . 2.0 112.65 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -137.19 19.14 2.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.782 0.325 . . . . 2.2 111.107 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -115.23 123.76 49.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 2.51 111.147 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.1 t -99.63 126.79 52.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.38 110.733 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.8 mm -116.25 117.78 56.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 1.6 111.049 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -106.37 140.01 39.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.003 -0.544 . . . . 2.74 111.262 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.55 HD21 H181 ' A' ' 129' ' ' OLA . 19.2 m120 -147.63 156.68 43.04 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.244 -0.435 . . . . 1.79 110.919 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -145.61 130.29 18.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.25 -0.432 . . . . 2.01 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.517 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -134.13 152.72 51.96 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.035 0.445 . . . . 1.66 111.309 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.5 m -111.66 116.07 30.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.831 -0.622 . . . . 0.62 109.441 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.1 pp -48.26 146.35 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.973 0.416 . . . . 1.57 111.736 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 56.15 26.9 50.84 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.897 -0.592 . . . . 0.8 112.97 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -143.89 148.09 34.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.78 0.324 . . . . 2.66 110.968 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -88.45 124.28 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 1.32 110.84 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' HD21 ' A' ' 71' ' ' LEU . 22.2 p -125.6 157.71 36.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 1.86 111.009 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.59 127.37 41.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 1.71 110.809 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 71' ' ' LEU . 2.8 mm? -118.01 142.99 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 1.91 111.285 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.02 126.33 34.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.575 -0.738 . . . . 2.11 110.726 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.6 p -80.46 175.93 10.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 1.76 111.188 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -69.82 -26.01 64.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 3.79 110.893 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.7 p -83.36 -45.23 13.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 2.23 111.252 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.61 0.58 3.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.866 -0.683 . . . . 1.47 112.19 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -79.89 142.03 35.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 1.94 111.08 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.6 119.52 29.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 2.94 110.778 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.3 m -116.7 150.72 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 1.06 111.273 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -105.55 128.86 53.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 3.13 110.597 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.39 142.35 28.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.69 111.934 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.6 120.95 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 1.4 110.784 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 63' ' ' PHE . 7.4 p -97.15 122.06 48.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 1.26 110.129 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -128.99 140.23 51.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.206 -0.452 . . . . 2.11 110.808 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.86 140.25 34.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 2.62 110.62 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -90.91 -10.18 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 2.06 110.795 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.96 -109.14 0.72 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.82 -0.705 . . . . 1.62 112.963 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 17.4 t70 -111.69 122.69 48.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.955 0.407 . . . . 2.84 111.382 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 59.4 t30 74.15 -5.01 2.15 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.374 -0.83 . . . . 2.22 112.185 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.95 131.4 45.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.232 0.539 . . . . 2.05 112.056 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.2 ttm -141.71 130.44 22.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.395 -0.82 . . . . 1.96 109.83 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.66 118.69 59.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.19 0.519 . . . . 1.46 111.97 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.529 HG23 ' OG ' ' A' ' 100' ' ' SER . 1.2 t -134.39 142.06 47.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.679 -0.691 . . . . 0.52 110.654 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.7 p -126.56 129.46 48.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.681 -0.236 . . . . 1.23 111.471 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -139.21 126.64 21.61 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.821 0.343 . . . . 0.96 111.828 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HB3' HD13 ' A' ' 98' ' ' ILE . 36.9 ttpt 57.94 21.01 7.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.079 -0.509 . . . . 2.52 111.747 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 91.48 -5.36 80.42 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.647 -0.787 . . . . 0.83 112.648 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 98' ' ' ILE . 3.6 mp -89.72 138.28 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.994 -0.373 . . . . 1.45 109.994 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -96.82 122.6 39.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.047 0.451 . . . . 2.71 111.248 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.565 ' HA ' ' O ' ' A' ' 112' ' ' THR . 4.6 p -121.62 120.12 33.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.52 -0.764 . . . . 1.23 109.879 178.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.421 HG12 ' OE1' ' A' ' 103' ' ' GLU . 33.8 t -112.78 122.46 66.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.423 . . . . 0.59 110.921 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.0 m -114.5 129.97 56.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.974 -0.557 . . . . 0.59 111.657 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -96.09 127.85 42.46 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.084 -0.507 . . . . 2.1 109.642 178.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.78 115.74 30.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.223 0.535 . . . . 0.83 112.165 -178.811 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.478 ' C ' ' H ' ' A' ' 107' ' ' ASP . 95.1 m-20 -126.29 154.43 43.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.687 -0.688 . . . . 1.72 109.998 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.96 24.51 0.42 Allowed Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.528 -0.844 . . . . 1.44 112.908 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 105' ' ' ASN . 2.8 p30 -166.72 -21.63 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.951 0.375 . . . . 2.55 111.937 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.47 ' CG2' HD21 ' A' ' 105' ' ' ASN . 12.5 t -141.0 146.1 36.81 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.656 0.613 . . . . 1.53 112.656 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.38 123.39 32.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.642 -0.708 . . . . 1.54 110.5 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.3 m -115.27 139.63 49.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.44 111.321 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.442 ' ND2' ' H22' ' A' ' 129' ' ' OLA . 17.5 t-20 -115.49 132.85 56.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 1.95 110.958 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 100' ' ' SER . 2.9 m -120.04 118.96 32.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.295 -0.411 . . . . 0.57 111.156 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.415 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 67.0 mtt -123.26 121.68 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.753 0.311 . . . . 1.51 110.504 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 35.4 m -114.53 122.87 47.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.916 0.388 . . . . 0.56 111.627 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 115' ' ' LEU . 2.4 tm? -129.75 115.56 17.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.975 -0.557 . . . . 1.85 109.896 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.59 -85.26 0.11 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 1.8 112.155 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -148.72 20.78 1.02 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.359 . . . . 2.23 110.494 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.1 mt -106.48 137.72 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.83 111.326 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.8 t -105.45 123.7 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.107 0.48 . . . . 1.35 111.438 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.415 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 29.5 t80 -118.3 118.8 32.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.688 -0.687 . . . . 1.67 109.784 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.473 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 39.2 ttpt -128.56 123.46 33.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.808 0.337 . . . . 2.05 111.279 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.586 ' HE ' HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -105.48 125.95 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 2.32 111.182 -179.661 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.99 118.73 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.94 -0.573 . . . . 0.41 110.682 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 90.9 p -134.28 139.88 46.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.884 0.373 . . . . 1.14 111.086 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.38 149.01 42.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 2.04 110.809 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -72.26 120.38 17.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 3.09 110.994 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.404 HD11 ' HE3' ' A' ' 6' ' ' LYS . 46.2 pt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.031 -0.531 . . . . 1.31 111.126 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' OLA . . . . . 0.494 H182 H183 ' A' ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' OLA . . . . . 0.55 H181 HD21 ' A' ' 61' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.787 0.327 . . . . 6.91 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -101.07 130.86 47.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 3.46 110.969 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -140.23 -37.31 0.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.414 . . . . 3.4 111.062 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.4 p -82.23 138.88 34.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 1.53 111.047 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.02 156.62 8.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.837 -0.697 . . . . 0.54 112.313 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' HB3' ' HZ3' ' A' ' 6' ' ' LYS . 6.1 ttpm? -105.77 129.75 53.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 2.38 110.715 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.516 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 5.7 m-85 -135.53 125.27 25.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 1.13 110.448 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -102.07 140.47 36.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.136 0.494 . . . . 1.39 110.056 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.513 ' HB ' ' H ' ' A' ' 37' ' ' GLY . 64.6 t -68.32 143.97 14.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.541 -0.299 . . . . 1.24 110.469 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -115.91 -55.15 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.359 . . . . 2.2 111.891 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.6 t -148.95 168.68 22.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.132 0.491 . . . . 1.72 111.619 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 121' ' ' LYS . 6.1 tp-100 -141.26 137.39 32.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.68 -0.691 . . . . 2.01 110.732 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' HB3' ' A' ' 121' ' ' LYS . 12.0 pt-20 -103.91 140.64 37.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.384 -0.371 . . . . 2.39 110.839 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 56.34 78.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.5 -0.318 . . . . 1.88 110.651 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -109.56 -39.01 5.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.275 -0.42 . . . . 3.26 110.83 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 19' ' ' MET . 43.2 mt-10 -51.14 -46.85 88.76 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.108 -0.497 . . . . 1.96 111.799 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 57.7 Cg_endo -71.81 -34.09 9.27 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.579 1.519 . . . . 0.72 111.504 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.7 -52.03 66.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.639 -0.71 . . . . 1.46 110.941 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.733 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.92 -37.12 75.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 4.48 111.033 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HG3' ' HE3' ' A' ' 19' ' ' MET . 65.0 mttm -64.34 -44.04 92.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 2.27 111.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.41 -69.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.85 111.599 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.9 tpt -50.35 -25.92 4.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.664 . . . . 2.05 111.715 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.38 8.02 47.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.638 -0.792 . . . . 0.97 111.891 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.856 HD12 ' HD2' ' A' ' 25' ' ' PRO . 2.8 tp -75.32 142.57 75.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.364 . . . . 1.45 110.362 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.856 ' HD2' HD12 ' A' ' 24' ' ' LEU . 67.8 Cg_endo -78.45 132.06 10.93 Favored 'Trans proline' 0 N--CA 1.474 0.345 0 C-N-CA 123.242 2.628 . . . . 0.94 113.114 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 12.9 pt-20 -54.32 -28.08 40.14 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.429 -0.351 . . . . 1.99 110.506 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.0 -47.17 83.81 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.241 -0.436 . . . . 2.29 110.325 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 3.4 mm? -63.22 -35.9 81.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.65 110.132 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.642 HD11 ' HB3' ' A' ' 19' ' ' MET . 13.0 mt -57.52 -48.4 83.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.994 -0.548 . . . . 1.27 110.727 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 62.8 mm-40 -58.89 -43.92 91.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 1.44 111.156 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -69.35 -31.57 70.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 2.84 111.572 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.32 -23.83 46.27 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.818 -0.706 . . . . 0.83 113.728 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 22.3 ptmt -77.48 -34.6 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.248 0.524 . . . . 1.82 111.613 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.1 -14.04 56.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.538 -0.301 . . . . 1.89 111.415 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.8 mm -114.04 136.94 48.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 1.28 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -78.33 145.69 35.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 2.58 109.988 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.577 ' O ' ' HB2' ' A' ' 8' ' ' GLN . . . -95.61 171.97 29.59 Favored Glycine 0 C--O 1.223 -0.589 0 C-N-CA 120.308 -0.948 . . . . 0.49 111.306 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 t -134.96 132.2 53.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 117.336 0.568 . . . . 0.8 110.969 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 t -136.35 140.25 43.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.546 . . . . 1.4 110.869 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -135.32 126.73 28.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.087 -0.506 . . . . 2.16 110.124 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mt -112.54 119.49 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 1.16 111.791 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.24 114.24 45.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 0.52 109.93 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -98.99 115.69 29.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.102 0.477 . . . . 1.31 111.45 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -137.51 101.44 4.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 2.53 110.515 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.85 -117.73 8.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.718 -0.753 . . . . 1.77 112.375 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -105.8 -12.23 15.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.306 . . . . 3.15 110.933 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -100.86 130.61 46.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.931 0.396 . . . . 2.71 110.948 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.99 126.36 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 1.36 111.094 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -94.43 123.89 38.12 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.261 -0.427 . . . . 2.54 110.598 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.5 tp -114.63 123.8 50.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 1.69 110.913 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 62.7 m -125.33 126.96 45.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.63 111.266 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.65 129.03 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 1.76 110.243 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.4 m -118.92 130.3 55.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.029 0.442 . . . . 1.0 111.9 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -121.47 109.18 14.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.736 -0.665 . . . . 4.18 110.378 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.68 -82.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.674 -0.774 . . . . 2.0 112.31 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 t -142.69 16.22 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 2.2 111.324 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.456 ' HE3' HD11 ' A' ' 59' ' ' ILE . 42.7 tttp -108.19 127.84 54.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 2.51 110.792 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.8 t -99.3 126.32 52.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 1.38 110.97 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.456 HD11 ' HE3' ' A' ' 57' ' ' LYS . 49.6 mm -113.85 116.23 52.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.985 -0.552 . . . . 1.6 110.565 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -116.42 135.44 53.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.316 -0.402 . . . . 2.74 111.229 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -148.28 161.64 41.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.83 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -144.96 139.0 27.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.242 -0.435 . . . . 2.01 110.669 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -148.44 151.4 35.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.958 0.409 . . . . 1.66 111.731 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.0 m -99.76 131.15 45.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.814 -0.63 . . . . 0.62 110.831 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.12 119.25 16.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 1.57 110.97 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.76 -10.66 62.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.874 -0.679 . . . . 0.8 112.679 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -123.19 157.83 32.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 2.66 110.961 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 36.4 tt0 -86.84 119.2 26.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 1.32 110.619 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.5 t -111.58 157.21 20.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 1.86 110.609 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' C ' HD22 ' A' ' 71' ' ' LEU . 34.7 tt0 -98.49 120.55 39.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 1.71 110.876 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 71' ' ' LEU . 3.3 mm? -116.46 134.16 55.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.136 0.493 . . . . 1.91 110.953 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 78' ' ' LYS . 6.1 tt0 -85.66 124.28 32.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.717 -0.674 . . . . 2.11 110.483 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -73.47 170.87 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.76 111.257 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.0 ttt -60.87 -32.2 71.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 3.79 110.895 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.0 p -62.55 -45.58 92.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 2.23 111.084 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.84 -13.42 4.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.988 -0.625 . . . . 1.47 111.896 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -89.28 124.99 34.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.785 0.326 . . . . 1.94 110.759 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -84.79 141.29 30.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.126 -0.488 . . . . 2.94 111.363 179.632 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.3 m -129.87 159.86 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 1.06 111.033 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -94.38 128.79 41.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 3.13 111.09 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -144.71 141.89 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.853 -0.612 . . . . 0.69 110.892 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 5.3 p -114.02 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.085 0.469 . . . . 1.4 111.219 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.23 122.88 64.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.77 -0.65 . . . . 1.26 110.619 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -130.17 151.71 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 2.11 111.01 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.28 143.39 26.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 2.62 110.359 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -101.33 -21.08 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 2.06 111.191 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.24 -103.7 0.34 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.383 -0.913 . . . . 1.62 113.657 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 17.2 t70 -106.47 121.35 44.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 2.84 111.684 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.588 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 0.4 OUTLIER 57.94 13.82 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.984 -0.553 . . . . 2.22 112.311 178.543 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 12.8 mmtt -135.16 126.04 27.5 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.278 -0.569 . . . . 2.05 112.445 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 43.4 mtt -141.78 131.4 24.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.452 -0.794 . . . . 1.96 110.204 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.4 p -114.23 119.6 61.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.199 0.524 . . . . 1.46 112.052 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 100' ' ' SER . 2.8 t -133.99 126.79 30.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.654 -0.703 . . . . 0.52 110.38 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.6 m -125.61 137.21 53.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.838 0.351 . . . . 1.23 111.713 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -138.71 129.31 26.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.042 -0.526 . . . . 0.96 110.919 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 60.66 -87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.044 -0.525 . . . . 2.52 111.341 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.88 21.82 0.9 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.787 -0.72 . . . . 0.83 112.482 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 93.8 mt -110.14 138.73 36.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.687 0.279 . . . . 1.45 110.683 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -95.62 118.68 32.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 2.71 110.734 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.574 ' HB3' HG23 ' A' ' 93' ' ' THR . 44.7 t -121.47 120.43 34.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.1 -0.5 . . . . 1.23 110.906 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 52.4 t -123.83 122.3 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.59 110.448 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.8 m -114.49 129.98 56.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.59 111.655 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 21.7 tt0 -96.01 120.74 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.944 -0.762 . . . . 2.1 108.944 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.588 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -98.47 115.76 29.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.269 0.84 . . . . 0.83 113.269 -177.448 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.532 ' H ' HD13 ' A' ' 109' ' ' ILE . 49.7 m-20 -126.2 153.11 45.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.404 -0.816 . . . . 1.72 109.774 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.98 20.42 6.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.325 -0.94 . . . . 1.44 112.555 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -148.79 -34.98 0.2 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.625 0.231 . . . . 2.55 111.625 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 66.8 m -140.89 126.05 18.46 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.943 0.402 . . . . 1.53 111.514 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.532 HD13 ' H ' ' A' ' 105' ' ' ASN . 40.9 mm -108.27 121.66 61.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.064 -0.516 . . . . 1.54 110.993 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.5 m -115.32 137.89 51.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.44 111.484 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 121' ' ' LYS . 29.2 m-80 -120.95 135.69 55.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 1.95 110.43 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 100' ' ' SER . 3.7 m -120.1 116.54 25.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.57 111.614 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.555 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 57.6 mtt -124.82 120.43 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 1.51 109.93 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 45.5 m -120.53 120.9 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.56 111.814 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 115' ' ' LEU . 1.5 pt? -145.18 116.08 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.696 -0.683 . . . . 1.85 110.453 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 70.16 45.38 56.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.64 -0.79 . . . . 1.8 112.53 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.5 t70 66.31 3.58 2.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.64 0.257 . . . . 2.23 111.615 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 21.3 mt -87.28 137.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.83 111.139 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.3 t -109.28 117.7 55.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 1.35 111.298 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.555 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 31.1 t80 -113.26 119.23 37.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 1.67 110.091 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.47 ' HB3' ' HG2' ' A' ' 13' ' ' GLU . 40.8 ttmt -129.09 123.48 32.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 2.05 111.209 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -106.05 122.95 47.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 2.32 110.897 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.2 t -106.21 118.82 54.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.41 110.537 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.9 p -127.4 147.32 50.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.203 -0.453 . . . . 1.14 110.603 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 7' ' ' TYR . 24.0 mtpp -106.23 148.63 27.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.351 . . . . 2.04 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -86.98 119.66 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.381 -0.372 . . . . 3.09 110.251 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 8.6 pt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 1.31 111.151 -179.844 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.82 0.343 . . . . 6.91 110.776 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.45 ' ND2' ' HB3' ' A' ' 104' ' ' PHE . 2.6 p-10 -97.92 115.22 27.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 3.46 111.028 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -176.32 125.77 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 3.4 110.342 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.536 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 38.6 t 70.35 146.23 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.614 -0.721 . . . . 1.53 111.19 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.28 166.19 14.3 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.724 -0.671 . . . . 0.54 112.134 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HG2' ' HG2' ' A' ' 40' ' ' GLU . 12.7 tmtt? -99.87 131.86 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 2.38 110.475 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.61 150.14 50.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 1.13 110.142 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 124' ' ' SER . 2.8 tp-100 -118.55 114.58 23.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.901 0.334 . . . . 1.39 111.901 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 122' ' ' ARG . 49.0 t -69.54 117.4 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.478 -0.564 . . . . 1.24 109.478 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -89.43 -63.07 1.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.882 0.327 . . . . 2.2 111.882 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -147.18 168.19 22.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.371 . . . . 1.72 111.439 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 121' ' ' LYS . 0.4 OUTLIER -145.28 134.57 22.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.955 -0.566 . . . . 2.01 110.724 -179.729 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 12.9 pt-20 -106.06 151.62 24.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 2.39 110.722 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.757 HD22 HG22 ' A' ' 118' ' ' ILE . 0.7 OUTLIER 92.24 18.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.108 0.88 . . . . 1.88 111.35 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.52 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.6 OUTLIER -64.69 -49.24 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.431 -0.349 . . . . 3.26 111.845 -179.591 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 19' ' ' MET . 46.8 mt-10 -54.76 -50.71 84.34 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.271 0.471 . . . . 1.96 112.271 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 55.9 Cg_endo -71.81 -40.48 2.7 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 121.917 1.745 . . . . 0.72 113.178 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -64.37 -41.04 96.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.774 0.321 . . . . 1.46 111.48 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.736 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.74 -37.92 89.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 4.48 111.468 -179.512 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -70.52 -43.92 68.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.779 0.324 . . . . 2.27 110.785 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -69.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.85 111.647 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.0 tpp -51.91 -47.48 64.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.701 -0.681 . . . . 2.05 111.759 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.03 6.07 3.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.232 -0.985 . . . . 0.97 112.737 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.736 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 26.0 tp -74.77 144.13 79.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.242 -0.651 . . . . 1.45 109.242 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.598 ' HG2' HD13 ' A' ' 28' ' ' LEU . 3.8 Cg_endo -95.28 136.77 0.73 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.341 2.694 . . . . 0.94 112.11 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' HE22 ' A' ' 30' ' ' GLN . 2.6 mt-10 -51.53 -30.67 21.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 1.99 110.673 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -54.38 -43.91 71.8 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.291 -0.633 . . . . 2.29 109.291 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.0 mp -69.69 -35.24 74.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.413 -0.812 . . . . 1.65 110.06 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 19' ' ' MET . 38.0 mt -58.3 -48.72 84.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-N 115.943 -0.571 . . . . 1.27 111.493 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.549 HE22 ' HB3' ' A' ' 26' ' ' GLU . 1.3 mp0 -63.26 -41.32 99.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 1.44 111.41 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -69.5 -31.52 69.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.434 -0.348 . . . . 2.84 111.157 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.32 -37.4 24.52 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 121.033 -0.603 . . . . 0.83 113.625 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -62.38 -25.66 68.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.075 0.437 . . . . 1.82 111.061 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -89.89 -25.22 21.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.412 -0.358 . . . . 1.89 110.868 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.7 mm -102.43 116.67 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 1.28 111.221 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -80.28 107.47 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.394 . . . . 2.58 110.593 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.41 164.59 6.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.879 -0.677 . . . . 0.49 112.758 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' HB ' ' HB ' ' A' ' 53' ' ' THR . 12.1 t -122.0 138.91 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 0.8 110.469 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m -127.16 123.42 36.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.039 0.447 . . . . 1.4 111.495 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' A' ' 6' ' ' LYS . 37.5 mt-10 -134.21 124.73 26.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.69 -0.686 . . . . 2.16 109.659 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.409 HG12 ' HG ' ' A' ' 50' ' ' LEU . 7.3 mt -125.85 127.5 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 1.16 111.912 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 t -106.98 114.79 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.52 110.046 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.536 ' H ' ' HB2' ' A' ' 4' ' ' SER . 39.3 t-80 -105.49 116.86 32.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.906 0.384 . . . . 1.31 111.142 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -137.71 101.74 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.935 -0.575 . . . . 2.53 110.508 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.56 -100.01 0.51 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.799 -0.715 . . . . 1.77 112.285 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -120.68 -13.07 8.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.83 0.348 . . . . 3.15 110.67 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -93.45 114.3 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 2.71 110.667 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.3 t -120.72 124.37 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 1.36 111.383 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -101.49 130.08 47.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.54 . . . . 2.54 110.673 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HG ' HG12 ' A' ' 41' ' ' ILE . 5.0 tt -120.81 121.55 38.39 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.936 -0.394 . . . . 1.69 109.936 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.8 m -127.58 126.71 42.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.63 111.708 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.0 mm -108.7 123.16 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 1.76 109.696 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.487 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 57.7 m -103.6 130.57 51.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 1.0 111.655 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.483 ' C ' ' H ' ' A' ' 56' ' ' SER . 57.7 t80 -120.77 156.67 31.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.463 -0.789 . . . . 4.18 109.686 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.54 22.33 0.3 Allowed Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.661 -0.78 . . . . 2.0 113.109 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 54' ' ' TYR . 48.0 t -157.4 -45.41 0.07 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.912 0.356 . . . . 2.2 111.515 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -130.13 133.16 46.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.149 0.5 . . . . 2.51 112.212 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.33 139.26 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.724 -0.671 . . . . 1.38 110.395 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.0 mt -123.57 124.6 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.963 0.411 . . . . 1.6 111.66 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -116.88 139.75 50.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.94 -0.573 . . . . 2.74 110.508 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -138.62 162.1 35.46 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.088 0.47 . . . . 1.79 111.567 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -143.88 126.81 16.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.774 -0.648 . . . . 2.01 110.442 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -149.41 151.36 33.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 1.66 111.463 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.9 m -113.33 129.14 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.747 -0.66 . . . . 0.62 110.594 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.16 135.72 25.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 1.57 111.079 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.53 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 61.34 53.34 45.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.8 112.404 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -163.72 144.27 8.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.893 0.377 . . . . 2.66 111.205 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -82.68 122.53 28.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.55 . . . . 1.32 110.359 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 79.9 m -123.48 152.25 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.364 . . . . 1.86 111.112 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -98.52 120.38 38.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 1.71 110.833 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.448 HD22 ' H10' ' A' ' 129' ' ' OLA . 56.5 tp -120.25 145.91 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.91 110.9 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -85.45 123.79 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 2.11 110.997 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 p -83.58 166.08 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 1.76 111.027 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -69.38 -12.73 61.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 3.79 110.815 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -81.47 -30.64 33.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 2.23 110.844 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.36 8.55 23.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.951 -0.642 . . . . 1.47 112.344 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -107.91 143.09 37.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.867 0.365 . . . . 1.94 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -85.24 125.14 32.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 2.94 111.046 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.11 146.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 1.06 111.044 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -105.01 135.72 45.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 3.13 110.799 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.57 142.52 28.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.266 -0.425 . . . . 0.69 111.677 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 t -97.6 121.78 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.854 -0.612 . . . . 1.4 110.585 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 p -106.24 120.51 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.26 111.252 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.53 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 33.7 mtmm -134.81 152.09 51.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.066 -0.516 . . . . 2.11 110.999 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.66 141.19 34.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 2.62 110.64 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' H ' ' HA ' ' A' ' 91' ' ' MET . 11.3 tp10 -89.58 -20.63 23.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 2.06 110.844 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.51 -104.79 0.55 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.583 -0.818 . . . . 1.62 113.468 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -96.62 126.99 42.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.389 . . . . 2.84 111.617 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 10.0 p30 49.67 12.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.101 -0.954 . . . . 2.22 112.714 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -137.84 128.96 27.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.17 0.509 . . . . 2.05 112.163 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.422 ' HA ' ' H ' ' A' ' 86' ' ' GLU . 58.4 mtt -141.76 133.02 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.26 -0.882 . . . . 1.96 109.504 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.12 119.04 59.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.888 0.699 . . . . 1.46 112.888 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.524 HG23 ' HB3' ' A' ' 100' ' ' SER . 2.3 t -134.15 127.2 31.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.309 -0.86 . . . . 0.52 109.77 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.9 m -120.73 128.9 53.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.01 0.433 . . . . 1.23 112.054 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.459 ' HE1' ' HB2' ' A' ' 100' ' ' SER . 32.4 p90 -138.32 127.04 23.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.703 -0.68 . . . . 0.96 110.197 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 52.54 -155.23 0.18 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.503 -0.317 . . . . 2.52 110.533 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.0 28.26 3.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.657 -0.783 . . . . 0.83 112.54 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.457 HG13 HD13 ' A' ' 115' ' ' LEU . 4.7 mp -121.51 137.95 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.698 0.285 . . . . 1.45 110.978 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -97.17 127.25 42.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.328 -0.396 . . . . 2.71 110.717 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.524 ' HB3' HG23 ' A' ' 93' ' ' THR . 46.2 t -121.76 121.06 36.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 1.23 111.127 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.81 122.11 56.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.59 110.262 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 88.5 m -114.42 131.2 56.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.59 111.758 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -96.25 127.27 42.11 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.175 -0.676 . . . . 2.1 109.175 178.574 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.11 116.55 31.75 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.874 0.694 . . . . 0.83 112.874 -178.222 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.415 ' C ' ' H ' ' A' ' 107' ' ' ASP . 77.9 m-20 -125.08 153.82 42.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.666 -0.697 . . . . 1.72 109.964 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.48 30.57 0.85 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.641 -0.79 . . . . 1.44 113.02 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 105' ' ' ASN . 4.0 p30 -169.23 -20.38 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.905 0.352 . . . . 2.55 111.711 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -140.95 145.23 35.76 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.258 0.466 . . . . 1.53 112.258 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.4 mm -132.48 120.54 42.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.813 -0.631 . . . . 1.54 110.839 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.1 m -116.19 137.17 52.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.23 -0.441 . . . . 0.44 111.577 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.507 ' HB3' ' HB3' ' A' ' 122' ' ' ARG . 41.3 t30 -113.3 131.84 55.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.326 -0.397 . . . . 1.95 110.379 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 100' ' ' SER . 4.4 m -120.4 116.76 26.12 Favored 'General case' 0 N--CA 1.461 0.081 0 N-CA-C 112.551 0.575 . . . . 0.57 112.551 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.515 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 65.8 mtm -125.44 120.84 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 1.51 109.691 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.0 m -121.62 125.1 45.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.56 111.952 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.457 HD13 HG13 ' A' ' 98' ' ' ILE . 50.2 tp -135.16 115.54 13.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.953 -0.567 . . . . 1.85 110.424 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.28 -73.97 2.28 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.737 -0.744 . . . . 1.8 112.304 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -164.23 16.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.067 0.46 . . . . 2.23 110.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.757 HG22 HD22 ' A' ' 14' ' ' ASN . 3.5 mt -105.22 137.54 34.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.935 -0.575 . . . . 0.83 111.085 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.7 t -108.94 117.43 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.102 0.477 . . . . 1.35 111.607 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.515 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 29.1 t80 -101.86 119.8 39.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.405 -0.816 . . . . 1.67 110.071 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 53.5 mtmt -128.04 124.36 36.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.536 -0.302 . . . . 2.05 111.741 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 23.4 ttm180 -105.74 124.74 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 2.32 110.368 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 40.3 t -103.29 120.32 53.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.41 110.819 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 49.7 m -133.23 139.43 46.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 1.14 111.252 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -106.91 141.1 38.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.061 -0.518 . . . . 2.04 110.814 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -79.71 122.79 27.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 3.09 110.667 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 42.0 pt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.31 111.202 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 129' ' ' OLA . . . . . 0.448 ' H10' HD22 ' A' ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.772 0.32 . . . . 6.91 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -74.27 129.51 37.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 3.46 110.424 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -63.09 -16.32 59.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 3.4 111.738 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.428 ' OG ' ' HB3' ' A' ' 43' ' ' HIS . 26.8 m 50.61 -150.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.704 0.288 . . . . 1.53 110.518 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.22 169.82 24.96 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.9 -0.667 . . . . 0.54 112.945 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmmm? -105.11 126.51 52.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.841 0.353 . . . . 2.38 110.661 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.422 ' HB3' ' HB3' ' A' ' 124' ' ' SER . 31.0 m-85 -113.35 150.75 32.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 1.13 110.962 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' A' ' 36' ' ' LYS . 56.2 tp60 -122.27 126.07 47.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 1.39 111.251 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.611 HG22 ' HD2' ' A' ' 122' ' ' ARG . 41.2 t -69.53 143.53 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 1.24 110.052 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -113.93 -41.64 3.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.573 -0.285 . . . . 2.2 111.766 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -169.62 168.78 9.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.989 0.423 . . . . 1.72 111.442 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.523 HE22 ' HA ' ' A' ' 120' ' ' TYR . 37.8 tp60 -144.61 133.62 22.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.91 -0.587 . . . . 2.01 110.845 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -98.38 139.55 33.98 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.441 -0.345 . . . . 2.39 110.774 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 58.94 94.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.483 -0.326 . . . . 1.88 110.88 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.83 -40.03 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.489 -0.323 . . . . 3.26 111.101 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 13.9 mm-40 -52.67 -48.45 90.65 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 112.443 0.534 . . . . 1.96 112.443 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 43.9 Cg_endo -68.75 -40.23 7.5 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 121.651 1.567 . . . . 0.72 112.461 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.48 -50.89 65.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 1.46 111.463 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.666 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.94 -38.47 76.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.385 -0.371 . . . . 4.48 111.454 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 70.5 mttt -65.5 -40.87 93.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.378 . . . . 2.27 110.774 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.74 -12.87 61.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.85 111.145 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.2 tpp -104.74 -75.56 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 2.05 110.828 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 8.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.971 -0.633 . . . . 0.97 112.188 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.709 HD11 HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -83.11 118.27 71.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 110.481 -0.192 . . . . 1.45 110.481 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.61 ' HD2' HD13 ' A' ' 24' ' ' LEU . 42.3 Cg_endo -66.46 133.27 31.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.361 2.04 . . . . 0.94 112.3 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -50.79 -31.19 16.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.846 -0.616 . . . . 1.99 112.117 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' ' 25' ' ' PRO . 1.9 p30 -62.99 -42.19 99.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.656 0.265 . . . . 2.29 111.219 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.709 HD22 HD11 ' A' ' 24' ' ' LEU . 8.1 tt -68.27 -39.28 82.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.367 . . . . 1.65 111.244 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 25' ' ' PRO . 2.8 mp -60.15 -41.23 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.455 -0.339 . . . . 1.27 111.563 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 29.5 mm-40 -53.85 -47.03 71.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 1.44 110.931 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.1 -31.98 71.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 2.84 110.71 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.28 -53.65 20.63 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.992 -0.623 . . . . 0.83 113.225 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -56.16 -31.35 63.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 1.82 111.389 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -66.2 -26.8 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.89 110.832 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.5 mt -113.18 117.01 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 1.28 111.175 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.446 ' HB3' HE21 ' A' ' 8' ' ' GLN . 96.1 mttt -60.36 125.34 23.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 2.58 110.712 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.41 155.14 52.88 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.005 -0.617 . . . . 0.49 112.7 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 t -122.27 133.5 68.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.31 -0.256 . . . . 0.8 110.31 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -135.09 144.98 47.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.961 0.41 . . . . 1.4 111.799 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -134.8 141.78 46.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 2.16 110.078 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 4' ' ' SER . 28.0 mm -122.21 117.71 53.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.828 0.347 . . . . 1.16 111.771 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 85.1 t -109.7 114.55 47.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.52 110.418 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.428 ' HB3' ' OG ' ' A' ' 4' ' ' SER . 20.7 t-80 -105.06 115.7 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 1.31 110.956 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -138.4 106.33 5.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.07 -0.514 . . . . 2.53 111.529 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 50.52 62.25 5.32 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.14 -0.552 . . . . 1.77 113.488 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 68.31 -17.56 0.17 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.321 0.489 . . . . 3.15 112.321 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 45' ' ' GLY . 56.3 mtpt -91.54 108.25 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 2.71 110.508 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 61.0 t -109.19 127.49 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 1.36 111.298 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HG2' ' HB3' ' A' ' 62' ' ' GLU . 97.0 mttt -103.03 137.88 40.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 2.54 110.941 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.0 tp -111.09 123.86 51.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 1.69 110.738 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.0 m -123.28 126.21 46.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.878 0.371 . . . . 0.63 111.024 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mt -131.4 130.39 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 1.76 110.736 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -120.02 129.9 54.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.368 . . . . 1.0 111.548 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' HB3' ' H51' ' A' ' 128' ' ' OLA . 55.4 m-85 -121.66 109.02 14.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.926 -0.579 . . . . 4.18 110.62 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.94 -85.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.565 -0.826 . . . . 2.0 112.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.1 p -136.37 13.84 3.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.567 0.222 . . . . 2.2 111.326 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' HD3' HD11 ' A' ' 59' ' ' ILE . 38.1 ttmt -109.54 121.57 45.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 2.51 111.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.12 126.69 52.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.103 0.478 . . . . 1.38 110.709 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.447 HD11 ' HD3' ' A' ' 57' ' ' LYS . 50.7 mm -115.57 116.38 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 1.6 110.659 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -116.95 130.05 56.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.171 -0.468 . . . . 2.74 111.534 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -138.82 161.13 38.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 1.79 110.529 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 10.2 pt-20 -143.53 140.54 30.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 2.01 111.054 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -148.7 145.19 27.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 1.66 111.419 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.501 ' HB ' ' HB2' ' A' ' 67' ' ' GLU . 53.6 m -104.68 131.12 52.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.898 -0.592 . . . . 0.62 110.853 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD13 ' HG2' ' A' ' 85' ' ' MET . 97.9 mt -55.57 139.46 44.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 1.57 111.11 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.516 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 56.76 27.84 56.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.025 -0.607 . . . . 0.8 112.695 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 11.3 mm-40 -141.65 138.15 32.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.946 0.403 . . . . 2.66 110.979 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 41.3 tt0 -86.6 120.5 27.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 1.32 110.496 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.9 t -115.92 157.27 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 1.86 111.137 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.21 122.41 39.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 1.71 110.566 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tt -117.7 143.69 45.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 1.91 110.941 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -86.33 121.88 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 2.11 110.718 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 74' ' ' MET . 1.5 m -87.47 164.68 16.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 1.76 111.126 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.407 ' H ' HG22 ' A' ' 73' ' ' THR . 51.2 ttm -69.25 -24.62 64.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 3.79 110.674 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -66.04 -13.22 59.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.895 -0.593 . . . . 2.23 111.249 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.34 -20.44 46.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.823 -0.703 . . . . 1.47 112.263 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -96.44 145.61 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.333 . . . . 1.94 111.07 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -84.7 141.37 30.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 2.94 111.416 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.76 134.07 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 1.06 111.013 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -90.79 136.72 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.978 0.418 . . . . 3.13 111.184 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.44 142.52 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.69 111.57 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 6.8 p -110.32 123.4 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 1.4 110.591 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.495 HG23 ' HB ' ' A' ' 93' ' ' THR . 7.2 p -108.65 133.27 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 1.26 110.908 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.516 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 70.0 mttt -131.91 152.09 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 2.11 110.939 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.585 ' HG2' HD13 ' A' ' 65' ' ' LEU . 4.9 ppp? -106.34 142.25 36.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 2.62 111.104 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -102.29 -11.88 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.918 -0.583 . . . . 2.06 110.357 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.92 -127.68 5.24 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.589 -0.732 . . . . 1.62 112.64 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 14.2 m-20 -101.04 128.39 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.881 0.372 . . . . 2.84 110.906 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 1.5 m-20 79.6 -7.71 1.67 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.046 -0.979 . . . . 2.22 112.51 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 128.76 39.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.579 0.585 . . . . 2.05 112.579 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.1 mmt -141.62 136.97 31.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.266 -0.879 . . . . 1.96 109.86 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.4 p -129.72 121.41 52.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.223 0.535 . . . . 1.46 112.013 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 100' ' ' SER . 4.6 t -133.36 135.68 44.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.625 -0.716 . . . . 0.52 110.386 179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.8 p -125.21 129.17 49.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.864 0.364 . . . . 1.23 111.652 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -138.79 127.5 23.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.96 110.915 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? 61.85 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 2.52 111.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -157.7 8.78 0.21 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.691 -0.766 . . . . 0.83 112.554 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.578 HG12 HD13 ' A' ' 115' ' ' LEU . 79.2 mt -101.01 137.8 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.746 0.308 . . . . 1.45 111.064 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -97.84 121.63 39.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 2.71 110.701 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.561 ' HB2' HG23 ' A' ' 93' ' ' THR . 68.9 m -120.36 120.51 36.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 1.23 110.773 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 56.0 t -121.13 122.55 67.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.59 110.341 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 m -114.24 130.57 56.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.1 -0.5 . . . . 0.59 111.71 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 41.4 tt0 -96.32 121.81 38.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.813 -0.63 . . . . 2.1 109.332 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -101.4 116.11 32.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.18 0.514 . . . . 0.83 112.126 -178.639 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 108' ' ' THR . 49.5 m-20 -125.69 154.16 42.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.634 -0.712 . . . . 1.72 110.027 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.43 36.77 1.79 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.389 -0.91 . . . . 1.44 112.858 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -171.33 -36.82 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 111.972 0.36 . . . . 2.55 111.972 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 62.8 m -140.7 127.07 19.89 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.37 0.507 . . . . 1.53 112.37 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 108' ' ' THR . 1.7 mp -112.41 129.57 67.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.114 -0.494 . . . . 1.54 110.809 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 89.8 m -115.28 140.03 49.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.44 111.322 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 122' ' ' ARG . 28.7 t-20 -114.03 132.34 56.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 1.95 110.573 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 100' ' ' SER . 1.6 m -118.98 117.13 27.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.818 0.342 . . . . 0.57 111.758 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.417 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 61.6 mtt -124.64 121.31 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 1.51 110.212 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.5 m -119.5 121.97 40.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.56 111.911 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.578 HD13 HG12 ' A' ' 98' ' ' ILE . 62.6 tp -143.78 115.44 8.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 1.85 110.504 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.14 45.24 72.68 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.811 -0.709 . . . . 1.8 112.558 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 65.02 5.89 3.18 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.551 0.215 . . . . 2.23 111.526 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.6 mt -90.16 136.25 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.705 0.288 . . . . 0.83 110.737 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -101.08 136.88 30.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.217 0.532 . . . . 1.35 111.857 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.523 ' HA ' HE22 ' A' ' 12' ' ' GLN . 31.5 t80 -132.44 119.29 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.512 -0.767 . . . . 1.67 109.833 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.459 ' H ' HE22 ' A' ' 12' ' ' GLN . 39.1 ttpt -128.94 122.91 31.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.731 0.301 . . . . 2.05 111.383 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.611 ' HD2' HG22 ' A' ' 9' ' ' VAL . 42.8 ttp180 -103.04 132.65 49.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 2.32 110.693 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.4 t -102.46 119.12 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.41 110.296 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 13.8 m -133.02 141.75 48.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 1.14 111.371 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 149.07 41.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.862 -0.608 . . . . 2.04 110.708 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -82.16 129.09 34.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 3.09 110.886 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.4 pt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 1.31 111.104 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 128' ' ' OLA . . . . . 0.423 ' H51' ' HB3' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtm . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.689 0.28 . . . . 6.91 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -93.56 123.97 37.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 3.46 110.825 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -142.05 -37.18 0.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.485 . . . . 3.4 110.87 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 t -95.24 136.04 36.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 1.53 110.894 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.71 145.15 4.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.54 112.651 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -94.25 139.16 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 2.38 111.039 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -128.31 150.28 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.608 . . . . 1.13 110.555 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.595 ' HA ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -118.13 123.66 46.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.323 . . . . 1.39 111.622 -179.374 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -71.56 133.77 31.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 116.246 -0.434 . . . . 1.24 110.358 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -106.47 -37.91 6.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.908 0.336 . . . . 2.2 111.908 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 t -156.51 167.65 29.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.041 0.448 . . . . 1.72 111.74 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -145.85 154.98 42.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.675 -0.693 . . . . 2.01 110.342 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 42.1 mt-10 -113.78 136.88 52.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.67 0.271 . . . . 2.39 111.325 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 93.8 m-20 66.52 120.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.032 -0.531 . . . . 1.88 111.301 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' HB3' HD13 ' A' ' 29' ' ' ILE . 17.4 m-85 -130.07 -61.97 0.96 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.248 -0.433 . . . . 3.26 111.461 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.564 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . 45.2 mt-10 -48.28 -47.45 67.31 Favored Pre-proline 0 N--CA 1.463 0.225 0 CA-C-N 116.043 -0.526 . . . . 1.96 111.897 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 32.5 Cg_exo -58.11 -40.75 74.28 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 121.662 1.575 . . . . 0.72 112.192 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.7 -52.48 60.36 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.147 0.425 . . . . 1.46 112.147 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.706 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -59.73 -37.44 78.93 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.648 0.261 . . . . 4.48 111.499 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 92.5 mttt -70.05 -45.2 67.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.587 -0.279 . . . . 2.27 111.533 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.09 -75.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.977 0.418 . . . . 0.85 111.867 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.5 tpp -47.23 -36.93 9.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.585 -0.734 . . . . 2.05 112.015 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.87 10.18 21.44 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.528 -0.844 . . . . 0.97 112.143 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.706 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 24.0 tp -74.26 149.56 86.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 108.747 -0.835 . . . . 1.45 108.747 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.539 ' HB2' HD13 ' A' ' 28' ' ' LEU . 3.1 Cg_exo -82.45 125.91 4.6 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.723 2.282 . . . . 0.94 112.519 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HB3' ' SD ' ' A' ' 19' ' ' MET . 13.3 pt-20 -52.78 -33.37 48.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.052 -0.522 . . . . 1.99 111.187 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.37 -46.97 88.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.308 -0.406 . . . . 2.29 110.296 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 25' ' ' PRO . 11.3 mp -63.7 -36.11 82.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.843 -0.617 . . . . 1.65 110.417 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.659 HD12 ' HG2' ' A' ' 19' ' ' MET . 3.8 mt -57.62 -48.78 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 1.27 111.2 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' HA ' ' HD3' ' A' ' 33' ' ' LYS . 80.7 mm-40 -60.34 -42.91 96.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.022 -0.535 . . . . 1.44 111.543 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -68.72 -31.73 71.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.474 -0.33 . . . . 2.84 111.252 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.19 -33.42 32.5 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.891 -0.671 . . . . 0.83 113.368 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.478 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 17.9 ptmt -77.29 -27.54 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 1.82 111.427 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -73.88 -25.6 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.345 -0.389 . . . . 1.89 111.116 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -113.04 124.28 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 1.28 111.28 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -60.73 110.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 2.58 111.012 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.69 173.93 29.42 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.942 -0.647 . . . . 0.49 112.576 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.477 HG12 ' HB ' ' A' ' 53' ' ' THR . 3.4 p -132.91 142.56 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.8 111.158 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -135.88 122.97 21.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.4 110.634 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -125.0 143.34 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.612 0.244 . . . . 2.16 110.685 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.1 mt -127.0 119.61 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 1.16 111.476 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.0 t -108.33 114.69 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.52 110.476 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -103.57 114.93 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 1.31 111.024 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -138.87 104.26 5.02 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.089 -0.505 . . . . 2.53 111.564 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 50.19 60.65 6.48 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 121.191 -0.528 . . . . 1.77 113.53 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 69.16 -18.61 0.18 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.18 0.437 . . . . 3.15 112.18 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 45' ' ' GLY . 5.1 mptp? -90.36 108.37 19.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 2.71 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 49.1 t -106.41 140.51 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 1.36 111.797 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.499 ' HG2' ' HG2' ' A' ' 62' ' ' GLU . 36.0 mtmm -118.49 128.32 54.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.672 -0.695 . . . . 2.54 110.347 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -106.29 128.7 54.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 1.69 111.075 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.419 ' N ' HD13 ' A' ' 50' ' ' LEU . 27.8 m -125.78 126.16 44.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.63 111.032 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.5 mt -131.44 136.87 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 1.76 110.701 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.477 ' HB ' HG12 ' A' ' 38' ' ' VAL . 62.5 m -118.22 130.13 55.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 1.0 111.417 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -121.53 108.98 14.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 4.18 110.266 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.58 -83.82 0.2 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.738 -0.744 . . . . 2.0 112.382 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -142.76 18.28 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 2.2 110.969 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -111.09 136.37 50.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 2.51 110.965 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.91 126.29 59.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.051 -0.522 . . . . 1.38 110.522 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.0 mt -119.21 115.95 49.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 1.6 110.785 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -118.9 143.21 47.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 2.74 111.545 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -149.14 149.82 31.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 1.79 110.676 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.499 ' HG2' ' HG2' ' A' ' 49' ' ' LYS . 38.1 mt-10 -125.46 134.61 52.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 2.01 111.015 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.424 ' HA ' ' SG ' ' A' ' 69' ' ' CYS . 8.2 p90 -148.94 151.56 34.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 1.66 111.325 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 m -107.62 131.15 54.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.62 111.034 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.432 HD12 ' C ' ' A' ' 65' ' ' LEU . 4.3 pp -58.95 158.48 8.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.033 -0.53 . . . . 1.57 111.424 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.545 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 47.81 35.06 11.75 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.91 -0.586 . . . . 0.8 112.985 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -161.91 142.9 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 2.66 110.952 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.3 120.0 20.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 1.32 110.702 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 63' ' ' PHE . 31.6 t -118.85 157.12 28.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.39 -0.368 . . . . 1.86 110.651 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HG2' ' HE2' ' A' ' 78' ' ' LYS . 42.2 tt0 -107.84 120.56 42.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 1.71 111.184 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.566 ' H ' HD23 ' A' ' 71' ' ' LEU . 1.6 pt? -119.05 146.81 44.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 1.91 110.863 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -84.55 131.39 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 2.11 110.827 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.4 p -93.23 177.43 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 1.76 111.263 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.9 ptp -67.14 -26.96 66.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 3.79 110.791 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 p -79.1 -4.45 50.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 2.23 111.171 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.68 -14.16 56.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.569 -0.824 . . . . 1.47 112.189 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -75.46 140.31 42.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.809 0.338 . . . . 1.94 110.76 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.52 ' HE2' ' HG2' ' A' ' 70' ' ' GLU . 14.4 mmmm -90.96 125.44 35.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 2.94 111.075 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.7 m -121.87 147.38 25.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.43 . . . . 1.06 111.172 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -106.5 136.58 46.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.282 -0.417 . . . . 3.13 110.791 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.62 143.37 28.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.233 -0.44 . . . . 0.69 111.696 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.3 t -99.6 115.09 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.4 110.62 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG21 ' H72' ' A' ' 129' ' ' OLA . 3.2 p -107.3 122.9 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.988 0.423 . . . . 1.26 111.171 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.545 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 22.6 mtpp -134.39 151.74 51.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.925 -0.58 . . . . 2.11 110.565 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -94.29 137.71 33.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.3 -0.409 . . . . 2.62 110.669 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -100.2 -12.13 19.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.041 0.448 . . . . 2.06 110.676 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.29 109.3 2.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 1.62 113.365 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.548 ' C ' ' H ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER 54.19 -134.44 1.59 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.251 0.548 . . . . 2.84 111.11 179.052 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.629 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 8.8 p30 -45.6 0.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.615 -1.175 . . . . 2.22 113.67 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 89' ' ' ASN . 69.8 mmtt -128.89 123.33 32.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 118.716 0.689 . . . . 2.05 112.774 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.7 mtp -139.5 129.99 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.114 -0.948 . . . . 1.96 109.259 177.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.41 118.31 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.247 0.546 . . . . 1.46 112.464 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.435 HG23 ' OG ' ' A' ' 100' ' ' SER . 1.5 t -134.59 129.39 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.432 -0.803 . . . . 0.52 110.038 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -124.38 128.55 49.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 1.23 112.124 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -136.21 123.31 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.671 -0.695 . . . . 0.96 109.74 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp 55.13 -153.73 0.31 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 2.52 110.163 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.19 12.86 35.74 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.52 -0.847 . . . . 0.83 112.651 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 115' ' ' LEU . 25.8 mm -102.9 133.06 47.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 1.45 111.042 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -100.05 121.59 41.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.454 -0.339 . . . . 2.71 110.585 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 112' ' ' THR . 27.9 p -121.5 120.86 36.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 1.23 111.327 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 71.0 t -125.28 122.82 63.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.841 -0.618 . . . . 0.59 110.179 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.4 m -113.5 132.08 55.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.383 . . . . 0.59 111.721 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.629 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 21.1 tt0 -99.58 120.22 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 2.1 110.042 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.623 ' N ' ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -95.14 115.07 26.95 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 113.15 0.796 . . . . 0.83 113.15 -178.768 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 108' ' ' THR . 3.9 m-20 -125.87 153.34 44.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.947 -1.024 . . . . 1.72 109.992 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.5 27.65 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.375 -0.917 . . . . 1.44 112.521 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -151.19 -47.67 0.12 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 120.694 0.283 . . . . 2.55 111.438 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 58.0 m -138.93 123.65 18.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.853 0.358 . . . . 1.53 111.448 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 109' ' ' ILE . 2.1 mp -102.68 124.19 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 1.54 110.755 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.4 m -115.58 139.67 49.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.328 -0.396 . . . . 0.44 111.71 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.641 ' HB3' ' HG2' ' A' ' 122' ' ' ARG . 27.2 t-20 -119.51 139.52 51.97 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.464 -0.335 . . . . 1.95 110.596 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 100' ' ' SER . 0.6 OUTLIER -119.51 119.14 32.98 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.201 0.445 . . . . 0.57 112.201 -179.194 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.533 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 67.1 mtt -124.12 120.5 32.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.545 . . . . 1.51 109.609 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.4 m -127.37 125.44 40.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.224 0.453 . . . . 0.56 112.224 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 98' ' ' ILE . 1.2 pt? -127.58 115.57 19.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.783 -0.644 . . . . 1.85 109.863 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.63 -79.28 0.7 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.664 -0.779 . . . . 1.8 112.03 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -149.69 4.88 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 2.23 110.818 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.432 HD13 ' C ' ' A' ' 17' ' ' PRO . 17.3 mt -87.35 137.84 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.83 111.754 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.3 t -110.72 117.0 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.969 -0.559 . . . . 1.35 110.806 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.533 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 27.7 t80 -115.35 117.26 29.93 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.725 -0.472 . . . . 1.67 109.725 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -130.46 132.22 45.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 2.05 111.537 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.641 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 16.7 ptt180 -116.67 131.23 57.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 2.32 111.186 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.66 119.5 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.41 110.352 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.0 m -119.56 140.29 50.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.94 0.4 . . . . 1.14 111.57 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.68 140.08 40.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.909 -0.587 . . . . 2.04 110.47 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -71.0 127.7 33.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 3.09 111.074 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.5 pt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.026 -0.534 . . . . 1.31 111.132 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 129' ' ' OLA . . . . . 0.462 ' H72' HG21 ' A' ' 83' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.806 0.336 . . . . 6.91 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -84.48 98.8 10.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 3.46 111.114 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -146.96 -45.46 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.043 -0.526 . . . . 3.4 111.052 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.9 t -103.44 130.71 50.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.169 -0.469 . . . . 1.53 111.154 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.88 177.41 43.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.693 -0.765 . . . . 0.54 112.398 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.52 ' HG3' ' HG2' ' A' ' 40' ' ' GLU . 75.9 tttt -119.57 124.11 45.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.32 . . . . 2.38 110.8 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -125.99 146.48 49.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 1.13 110.463 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 124' ' ' SER . 7.3 tp60 -116.97 128.81 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 1.39 111.607 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.419 HG22 ' HD2' ' A' ' 122' ' ' ARG . 51.7 t -69.71 126.12 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 1.24 109.974 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.534 ' HA ' ' HZ1' ' A' ' 36' ' ' LYS . 53.7 mt-30 -101.04 -37.53 8.57 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.828 0.307 . . . . 2.2 111.828 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.7 t -166.09 162.32 17.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.129 0.49 . . . . 1.72 111.67 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -145.25 132.62 20.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.782 -0.645 . . . . 2.01 110.351 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.78 134.68 37.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.688 0.28 . . . . 2.39 111.024 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 62.79 100.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 1.88 110.974 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -55.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.984 -0.553 . . . . 3.26 111.127 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 40.2 mt-10 -48.86 -48.6 70.82 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 112.858 0.688 . . . . 1.96 112.858 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 40.1 Cg_endo -66.58 -40.9 12.51 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.737 1.625 . . . . 0.72 113.301 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.71 -49.88 55.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 1.46 111.323 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.651 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.45 -45.08 95.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 4.48 112.046 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.551 ' N ' ' SD ' ' A' ' 19' ' ' MET . 12.0 tttm -70.43 -39.05 74.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.35 -0.386 . . . . 2.27 111.444 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.68 -11.97 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.084 0.469 . . . . 0.85 110.515 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.8 tpt -101.18 -69.43 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.681 -0.69 . . . . 2.05 110.653 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.55 6.48 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.947 -0.644 . . . . 0.97 112.564 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.651 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 14.3 tp -80.98 139.17 49.53 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 122.979 -0.13 . . . . 1.45 110.705 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 1.8 Cg_endo -83.45 123.72 3.46 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.178 2.585 . . . . 0.94 112.712 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.742 ' HA ' HD12 ' A' ' 29' ' ' ILE . 35.1 tt0 -52.32 -28.35 18.87 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.215 -0.448 . . . . 1.99 112.168 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.25 -49.05 77.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.669 0.248 . . . . 2.29 111.669 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.4 -37.7 74.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.166 0.508 . . . . 1.65 110.905 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 26' ' ' GLU . 14.4 mt -62.77 -40.4 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.483 -0.78 . . . . 1.27 112.43 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 25.9 mm-40 -54.45 -47.9 72.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 1.44 111.078 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -69.81 -31.54 69.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 2.84 111.558 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.55 -30.4 49.18 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.901 -0.666 . . . . 0.83 114.105 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 21.3 ptmt -71.3 -28.85 64.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.257 0.528 . . . . 1.82 111.171 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.03 -6.5 54.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.917 0.389 . . . . 1.89 110.586 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.417 HD13 ' HA2' ' A' ' 55' ' ' GLY . 66.3 mt -114.27 125.1 71.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.922 -0.581 . . . . 1.28 111.178 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.534 ' HZ1' ' HA ' ' A' ' 10' ' ' GLN . 27.5 mtpp -61.66 114.63 3.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 2.58 110.479 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.72 160.7 18.85 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.847 -0.692 . . . . 0.49 112.632 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.4 t -122.62 133.34 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.57 0.224 . . . . 0.8 110.68 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.433 ' HA ' HD13 ' A' ' 52' ' ' ILE . 79.8 p -135.07 128.33 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 1.4 111.289 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' HG2' ' HG3' ' A' ' 6' ' ' LYS . 41.4 mt-10 -134.61 127.72 31.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 2.16 110.56 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.3 mp -113.75 119.11 60.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.881 0.372 . . . . 1.16 111.46 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 91.6 t -108.36 114.68 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.52 110.329 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -103.1 116.28 32.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.766 0.317 . . . . 1.31 111.172 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -138.13 101.93 4.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.136 -0.483 . . . . 2.53 111.482 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 47.38 64.97 2.55 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.275 -0.488 . . . . 1.77 113.31 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 65' ' ' LEU . 54.7 mtmt 68.58 -17.84 0.18 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.173 0.434 . . . . 3.15 112.173 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 45' ' ' GLY . 59.7 mtpt -90.42 108.62 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.119 -0.326 . . . . 2.71 110.119 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 60.5 t -108.28 124.97 65.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.981 0.419 . . . . 1.36 111.887 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -99.02 127.0 44.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.882 -0.599 . . . . 2.54 110.032 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.98 124.26 51.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 1.69 110.826 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.3 m -125.68 127.22 45.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.63 111.357 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 39' ' ' SER . 44.2 mm -127.71 127.65 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 1.76 110.456 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.3 m -111.09 131.13 55.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.015 0.436 . . . . 1.0 111.702 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -120.67 109.41 15.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.774 -0.648 . . . . 4.18 110.422 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' HA2' HD13 ' A' ' 35' ' ' ILE . . . 69.18 -85.07 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 2.0 112.497 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.3 p -138.59 13.76 2.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.713 0.292 . . . . 2.2 111.416 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -112.95 129.67 56.4 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.389 -0.369 . . . . 2.51 111.202 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.9 t -102.32 126.42 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 1.38 110.583 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -112.16 121.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 1.6 110.825 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -109.88 144.31 38.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 2.74 111.518 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -147.75 161.68 40.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.945 -0.57 . . . . 1.79 110.78 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -145.26 129.05 17.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 2.01 111.126 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -148.61 152.65 37.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 1.66 111.146 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' ' 67' ' ' GLU . 33.1 m -96.0 131.96 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.62 110.717 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 46' ' ' LYS . 96.5 mt -41.83 -93.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.932 0.715 . . . . 1.57 112.932 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.449 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . -74.91 40.91 1.21 Allowed Glycine 0 C--N 1.316 -0.545 0 CA-C-N 115.467 -0.788 . . . . 0.8 113.698 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.553 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 16.6 mm-40 -149.76 132.47 15.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 2.66 110.752 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -74.17 119.07 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 1.32 110.515 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.5 t -116.52 157.43 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 1.86 110.996 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -98.2 119.35 36.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.118 -0.492 . . . . 1.71 110.989 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.514 HD22 H111 ' A' ' 129' ' ' OLA . 7.3 mp -111.56 145.72 38.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 1.91 110.747 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -85.97 134.17 33.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 2.11 111.008 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.6 p -89.57 171.32 9.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 1.76 110.926 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.9 tpp -68.97 -25.62 64.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 3.79 110.82 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.6 p -78.89 -23.43 44.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 2.23 111.018 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.15 7.98 34.46 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.833 -0.699 . . . . 1.47 111.99 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -88.92 146.06 25.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 1.94 110.86 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -91.42 119.15 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 2.94 110.776 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.17 146.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.25 -0.432 . . . . 1.06 111.21 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -108.57 132.91 53.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 3.13 110.619 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.53 142.37 27.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.95 0.405 . . . . 0.69 111.607 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.4 p -123.52 115.01 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 1.4 110.813 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.421 HG23 ' HB ' ' A' ' 93' ' ' THR . 2.8 p -109.77 116.02 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 1.26 110.934 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.449 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 26.3 mtpp -104.64 143.36 33.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.398 -0.364 . . . . 2.11 110.909 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.12 140.54 44.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 2.62 111.008 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -104.12 -21.95 13.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 2.06 110.801 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.95 33.47 62.68 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.65 -0.786 . . . . 1.62 112.315 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -151.42 59.1 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.459 0.171 . . . . 2.84 111.155 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.616 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 17.4 t-20 54.85 14.24 0.87 Allowed 'General case' 0 C--O 1.225 -0.196 0 CA-C-O 120.644 0.259 . . . . 2.22 110.997 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.7 128.39 30.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.204 0.526 . . . . 2.05 112.132 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 54.9 ttm -142.02 146.79 35.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.242 -0.89 . . . . 1.96 109.867 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -131.54 122.36 50.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.047 0.451 . . . . 1.46 112.048 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.615 HG23 ' HB2' ' A' ' 100' ' ' SER . 4.8 t -133.65 135.25 44.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.83 -0.623 . . . . 0.52 110.76 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.2 p -126.24 126.34 43.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.664 0.269 . . . . 1.23 111.566 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.5 ' HD2' ' HZ1' ' A' ' 96' ' ' LYS . 29.6 p90 -139.14 128.1 23.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.96 111.209 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HZ1' ' HD2' ' A' ' 95' ' ' PHE . 36.0 mtmm 58.53 22.23 9.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 2.52 112.091 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.4 4.2 83.67 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.583 -0.818 . . . . 0.83 112.967 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 69.0 mt -90.19 139.11 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.575 0.226 . . . . 1.45 110.426 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -95.89 118.07 31.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.89 0.376 . . . . 2.71 111.226 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.615 ' HB2' HG23 ' A' ' 93' ' ' THR . 62.1 m -122.41 120.28 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.576 . . . . 1.23 110.74 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.7 t -108.74 120.32 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.4 . . . . 0.59 110.753 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 91' ' ' MET . 40.0 m -116.47 122.82 45.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.55 . . . . 0.59 111.662 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -96.65 131.78 42.97 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.304 -0.628 . . . . 2.1 109.304 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.616 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.07 116.17 31.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.112 0.782 . . . . 0.83 113.112 -177.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -125.43 153.57 43.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.258 -0.883 . . . . 1.72 110.223 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.03 36.47 1.7 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.631 -0.795 . . . . 1.44 112.856 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -172.89 -28.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.859 0.318 . . . . 2.55 111.859 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.0 m -140.97 133.52 28.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.895 0.378 . . . . 1.53 111.86 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.401 ' HB ' ' OG ' ' A' ' 124' ' ' SER . 40.6 mm -118.47 121.57 67.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 1.54 110.902 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -110.91 139.3 46.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.401 -0.363 . . . . 0.44 111.325 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 121' ' ' LYS . 24.7 t-20 -123.93 131.74 53.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.281 -0.418 . . . . 1.95 111.022 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 100' ' ' SER . 1.8 m -120.29 118.39 30.3 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.392 -0.367 . . . . 0.57 111.491 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.623 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 63.8 mtt -124.38 127.37 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.079 -0.341 . . . . 1.51 110.079 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.5 m -120.67 121.81 39.09 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.985 0.422 . . . . 0.56 111.976 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 115' ' ' LEU . 3.1 tm? -144.59 115.78 7.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.814 -0.63 . . . . 1.85 109.855 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.43 95.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.542 -0.837 . . . . 1.8 112.268 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 66.82 5.59 4.08 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 122.382 0.273 . . . . 2.23 111.656 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.4 mt -87.5 137.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.589 -0.278 . . . . 0.83 110.75 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.2 t -105.13 134.28 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.179 0.514 . . . . 1.35 111.747 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.623 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 42.1 t80 -125.11 120.15 30.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.563 -0.744 . . . . 1.67 110.032 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 40.4 ttpt -128.22 124.25 36.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.462 -0.336 . . . . 2.05 111.322 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.419 ' HD2' HG22 ' A' ' 9' ' ' VAL . 41.6 ttp180 -112.41 122.77 48.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 2.32 110.567 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 62.1 t -102.51 119.59 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.942 -0.572 . . . . 0.41 110.57 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 89.1 p -130.24 138.95 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.854 0.359 . . . . 1.14 111.051 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.28 144.42 44.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.058 -0.519 . . . . 2.04 110.869 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -71.34 133.89 46.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 3.09 111.151 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.2 pt . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.187 -0.46 . . . . 1.31 111.065 179.722 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 129' ' ' OLA . . . . . 0.514 H111 HD22 ' A' ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.725 0.298 . . . . 6.91 111.002 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -100.03 106.55 18.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 3.46 110.938 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.14 -37.73 0.51 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 3.4 110.93 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.9 p -97.8 129.26 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 1.53 110.927 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.57 167.44 38.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.777 . . . . 0.54 112.579 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -107.29 118.73 37.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 2.38 110.539 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -119.63 150.57 40.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 1.13 110.742 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.514 HE21 ' HB3' ' A' ' 36' ' ' LYS . 55.2 tp60 -126.22 129.88 49.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 1.39 110.848 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.6 t -68.99 136.47 26.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.489 . . . . 1.24 110.611 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -109.14 -42.49 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 2.2 111.3 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -161.4 163.05 30.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.05 0.453 . . . . 1.72 111.47 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.583 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 7.9 tm0? -145.68 133.07 20.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.737 -0.665 . . . . 2.01 110.26 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.52 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 10.0 pt-20 -94.27 126.59 39.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.726 -0.216 . . . . 2.39 110.671 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER 80.15 148.23 0.09 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.89 0.744 . . . . 1.88 111.122 -179.569 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -166.95 -45.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 3.26 111.522 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . 10.0 mm-40 -63.18 -49.9 78.08 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.163 0.431 . . . . 1.96 112.163 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 12.2 Cg_exo -70.43 -41.47 3.4 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.983 1.789 . . . . 0.72 112.685 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -59.95 -52.15 66.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 1.46 111.056 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.594 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 23.0 mmt -65.46 -38.38 89.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 4.48 111.609 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.501 ' NZ ' ' HB3' ' A' ' 26' ' ' GLU . 12.8 mptt -58.06 -43.7 87.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.105 0.479 . . . . 2.27 110.419 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -17.22 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.543 -0.753 . . . . 0.85 110.803 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.1 tpp -93.78 -76.71 0.47 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.793 -0.64 . . . . 2.05 110.715 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.49 39.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.011 -0.614 . . . . 0.97 112.325 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 17.5 tp -117.74 133.43 23.32 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.547 0.213 . . . . 1.45 110.864 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' A' ' 24' ' ' LEU . 63.2 Cg_endo -71.73 136.49 28.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.505 2.137 . . . . 0.94 112.47 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.812 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -51.59 -33.56 33.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.718 -0.674 . . . . 1.99 111.801 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -56.34 -47.74 78.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.723 0.297 . . . . 2.29 110.972 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.521 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.0 mp -69.66 -36.97 76.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 1.65 111.401 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 26' ' ' GLU . 58.0 mt -59.11 -48.58 86.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 1.27 111.885 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 23.2 mm-40 -57.23 -41.57 79.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.034 -0.53 . . . . 1.44 111.504 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -68.76 -31.73 70.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.371 . . . . 2.84 111.223 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.14 -49.33 12.92 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.931 -0.652 . . . . 0.83 112.819 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -65.49 -32.16 73.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.738 0.304 . . . . 1.82 111.166 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.51 -19.88 65.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 1.89 110.945 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.2 mt -114.07 127.07 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 1.28 111.225 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.514 ' HB3' HE21 ' A' ' 8' ' ' GLN . 95.0 mttt -60.85 124.96 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 2.58 110.596 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.8 158.94 53.36 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.738 -0.744 . . . . 0.49 112.566 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 t -122.26 133.4 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.556 0.217 . . . . 0.8 110.59 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.529 ' HA ' HD13 ' A' ' 52' ' ' ILE . 80.0 p -135.16 128.04 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.01 0.433 . . . . 1.4 111.905 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -134.98 132.19 38.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 2.16 109.677 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.472 HD11 ' H21' ' A' ' 129' ' ' OLA . 13.6 mt -125.06 122.3 62.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.236 0.458 . . . . 1.16 112.236 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.23 114.58 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.52 110.048 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -103.98 118.79 37.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 1.31 111.5 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -136.53 103.91 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.935 -0.575 . . . . 2.53 110.521 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.97 -94.64 0.18 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 1.77 112.242 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -127.96 -17.64 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 3.15 110.678 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -91.3 112.98 25.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.504 . . . . 2.71 110.729 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 63' ' ' PHE . 10.8 p -109.74 141.96 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 1.36 111.027 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.547 ' HG2' ' HB3' ' A' ' 62' ' ' GLU . 59.9 mttp -116.29 123.76 48.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.294 -0.412 . . . . 2.54 110.839 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.9 tp -110.43 123.48 49.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.935 -0.575 . . . . 1.69 110.767 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.1 m -118.28 126.71 52.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.63 111.149 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' A' ' 39' ' ' SER . 30.9 mm -130.56 125.92 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 1.76 110.057 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 91.5 m -105.3 128.09 53.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.049 0.452 . . . . 1.0 112.014 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 57' ' ' LYS . 34.0 m-85 -123.97 108.75 12.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.579 -0.737 . . . . 4.18 110.776 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.01 66.52 2.14 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.64 -0.791 . . . . 2.0 113.183 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 m 66.75 -0.03 1.74 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.781 0.659 . . . . 2.2 112.781 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 54' ' ' TYR . 39.5 ttpt -96.64 136.17 37.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.753 0.311 . . . . 2.51 110.608 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.9 t -105.26 126.42 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.381 -0.372 . . . . 1.38 111.444 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.441 HD11 ' HE3' ' A' ' 57' ' ' LYS . 50.7 mt -116.86 116.18 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 1.6 110.481 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -118.25 140.29 50.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.349 -0.387 . . . . 2.74 111.742 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -158.64 119.32 3.31 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.074 -0.512 . . . . 1.79 111.089 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.547 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 10.1 pt-20 -106.08 140.58 38.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.37 -0.377 . . . . 2.01 110.482 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 48' ' ' VAL . 1.8 p90 -148.83 152.3 36.26 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.03 0.443 . . . . 1.66 111.557 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -96.65 131.24 43.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.902 -0.59 . . . . 0.62 111.236 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' A' ' 65' ' ' LEU . 15.3 mt -52.92 134.14 37.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.729 -0.669 . . . . 1.57 110.98 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.31 44.07 98.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.8 112.389 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -153.12 148.93 27.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.719 0.295 . . . . 2.66 110.766 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.431 ' HA ' HG22 ' A' ' 82' ' ' VAL . 44.1 tt0 -81.32 119.04 23.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 1.32 110.62 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.6 t -119.8 158.29 26.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 1.86 110.61 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.449 ' C ' HD22 ' A' ' 71' ' ' LEU . 43.9 tt0 -95.18 119.07 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 1.71 111.052 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.449 HD22 ' C ' ' A' ' 70' ' ' GLU . 3.4 mm? -120.06 145.91 46.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.711 -0.677 . . . . 1.91 110.301 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -85.49 148.0 26.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.763 0.316 . . . . 2.11 110.423 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.7 p -95.49 177.97 5.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 1.76 110.947 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.92 -12.82 57.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 3.79 110.57 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.6 p -103.46 -1.75 27.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.605 . . . . 2.23 111.194 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.13 3.37 79.34 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.697 -0.763 . . . . 1.47 112.159 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.98 136.11 37.12 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.768 0.318 . . . . 1.94 110.822 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' HE2' ' HG2' ' A' ' 70' ' ' GLU . 13.6 mmmm -85.42 124.49 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 2.94 111.304 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.3 m -129.8 164.46 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.937 -0.574 . . . . 1.06 110.944 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -107.03 131.88 53.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 3.13 111.453 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.88 142.0 27.16 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 0.69 111.795 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 68' ' ' GLU . 66.0 t -103.91 120.12 53.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.044 -0.525 . . . . 1.4 110.885 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 t -100.24 117.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 1.26 110.203 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -127.27 151.26 48.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 2.11 111.305 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.8 mtm -110.74 120.75 43.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 2.62 110.779 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.696 ' H ' ' HA ' ' A' ' 91' ' ' MET . 9.3 tp10 -72.07 -10.79 60.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.059 0.457 . . . . 2.06 110.384 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.81 -124.7 3.88 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.703 -0.68 . . . . 1.62 112.808 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 7.6 m-20 -98.59 127.55 44.56 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.811 0.339 . . . . 2.84 110.859 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 38.9 t30 73.42 -10.1 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.328 -0.851 . . . . 2.22 111.889 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 128.74 38.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.085 0.469 . . . . 2.05 112.066 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.696 ' HA ' ' H ' ' A' ' 86' ' ' GLU . 61.7 mtt -141.1 135.48 30.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.582 -0.736 . . . . 1.96 110.104 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.4 117.95 56.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 120.949 0.404 . . . . 1.46 112.089 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 100' ' ' SER . 2.2 t -135.32 125.4 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 0.52 110.391 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.1 p -126.4 139.3 53.38 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.04 0.385 . . . . 1.23 112.04 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -138.73 133.54 32.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.01 -0.541 . . . . 0.96 110.666 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt 59.38 -88.6 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.233 -0.439 . . . . 2.52 111.05 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -149.72 3.66 0.62 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.018 -0.611 . . . . 0.83 111.906 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.51 HD12 ' N ' ' A' ' 98' ' ' ILE . 4.1 mp -90.91 139.57 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.638 0.256 . . . . 1.45 110.756 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -95.35 120.08 34.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.405 -0.361 . . . . 2.71 110.666 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.428 ' HB3' HG23 ' A' ' 93' ' ' THR . 47.6 t -121.54 120.88 36.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.044 -0.526 . . . . 1.23 111.156 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.5 t -120.35 122.76 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 0.59 110.205 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 87.2 m -112.22 125.52 54.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 0.59 111.844 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 33.3 mt-10 -96.48 128.35 43.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.966 -0.561 . . . . 2.1 109.851 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -109.21 116.52 32.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.163 0.506 . . . . 0.83 112.196 -178.711 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 108' ' ' THR . 4.1 m-20 -125.28 153.46 43.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.543 -0.753 . . . . 1.72 110.382 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.35 43.83 2.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.622 -0.799 . . . . 1.44 112.936 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -172.79 -41.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.732 0.301 . . . . 2.55 111.171 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 75.0 m -140.98 124.7 16.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 1.53 111.794 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 109' ' ' ILE . 1.9 mp -106.6 121.34 59.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.145 -0.48 . . . . 1.54 110.463 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.1 m -115.15 139.62 49.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.44 111.482 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.411 ' OD1' ' HG3' ' A' ' 113' ' ' MET . 26.3 t-20 -112.95 141.62 46.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 1.95 110.431 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.0 m -119.35 118.63 31.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.746 0.308 . . . . 0.57 111.799 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.571 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 60.8 mtt -124.27 121.33 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.51 110.264 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.7 m -126.57 122.28 34.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.56 111.445 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.424 HD12 HG12 ' A' ' 98' ' ' ILE . 8.8 tt -128.66 115.08 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.999 -0.546 . . . . 1.85 109.987 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.58 -73.45 1.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 1.8 112.194 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -164.1 16.93 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 2.23 110.643 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.427 HG22 ' OD1' ' A' ' 14' ' ' ASN . 4.0 mt -105.28 137.58 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.83 110.74 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.6 p -104.8 137.38 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.293 0.568 . . . . 1.35 112.359 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.571 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 42.2 t80 -131.18 119.91 22.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.192 -0.913 . . . . 1.67 109.658 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.583 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 48.7 mttm -127.64 129.35 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 2.05 111.353 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -112.4 122.1 46.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 2.32 110.253 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.51 120.72 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.41 110.784 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 80.1 p -131.87 132.76 43.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 1.14 111.193 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.24 133.15 51.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.985 -0.552 . . . . 2.04 110.552 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -71.15 143.86 50.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 3.09 111.006 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.2 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 1.31 111.154 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 129' ' ' OLA . . . . . 0.472 ' H21' HD11 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.558 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 42.0 t . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 121.01 0.434 . . . . 1.53 111.353 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.58 156.43 13.27 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.777 -0.647 . . . . 0.54000000000000004 112.224 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -97.02 130.6 44.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 2.3799999999999999 110.922 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -134.83 145.38 48.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 1.1299999999999999 110.919 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.633 HE22 HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -120.99 128.3 52.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 1.3899999999999999 111.155 -179.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 37' ' ' GLY . 10.9 m -69.96 142.93 15.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.921 -0.4 . . . . 1.24 109.921 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -129.2 -15.52 4.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.136 0.421 . . . . 2.2000000000000002 112.136 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -165.73 151.73 9.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.234 0.54 . . . . 1.72 112.209 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.624 HE22 ' N ' ' A' ' 121' ' ' LYS . 50.2 tp60 -145.35 144.64 30.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.257 -0.883 . . . . 2.0099999999999998 110.071 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -106.13 139.2 41.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.625 0.25 . . . . 2.3900000000000001 110.76 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 69.62 136.33 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.232 -0.44 . . . . 1.8799999999999999 110.759 -179.493 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.584 ' HB3' HG21 ' A' ' 29' ' ' ILE . 97.3 m-85 -145.92 -65.7 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 3.2599999999999998 111.489 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 15.2 mm-40 -51.63 -50.13 78.96 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.631 0.604 . . . . 1.96 112.631 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 36.9 Cg_endo -67.29 -40.65 10.64 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 121.426 1.417 . . . . 0.71999999999999997 112.075 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.482 ' HB2' ' OD1' ' A' ' 14' ' ' ASN . 65.3 t80 -60.1 -52.17 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 1.46 111.465 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.559 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.67 -43.65 92.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 4.4800000000000004 111.773 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 76.1 mttt -58.49 -42.27 87.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.473 -0.33 . . . . 2.27 111.425 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.17 -22.26 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.375 . . . . 0.84999999999999998 111.323 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.8 tpt -95.21 -73.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 2.0499999999999998 111.034 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.98 18.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.893 -0.67 . . . . 0.96999999999999997 112.24 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' HD2' ' A' ' 25' ' ' PRO . 19.0 tp -91.02 130.66 39.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.418 0.151 . . . . 1.45 110.66 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.576 ' HD2' HD12 ' A' ' 24' ' ' LEU . 68.1 Cg_endo -72.26 132.42 19.37 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.587 2.191 . . . . 0.93999999999999995 112.385 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 10.5 pt-20 -50.98 -26.74 6.4 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.968 -0.56 . . . . 1.99 111.914 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.99 -45.58 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.764 0.316 . . . . 2.29 111.041 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD13 ' HG2' ' A' ' 25' ' ' PRO . 9.9 mp -68.95 -39.24 79.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 1.6499999999999999 112.051 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 15' ' ' PHE . 2.7 mp -61.68 -46.34 96.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 111.761 0.282 . . . . 1.27 111.761 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 30.1 mm-40 -54.82 -43.58 73.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.845 0.355 . . . . 1.4399999999999999 111.144 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -70.02 -32.1 70.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.359 . . . . 2.8399999999999999 111.703 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.76 -31.6 32.32 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.796 -0.716 . . . . 0.82999999999999996 114.085 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -66.46 -29.74 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.168 0.484 . . . . 1.8200000000000001 111.127 -179.22 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -83.22 -7.39 59.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.36 . . . . 1.8899999999999999 110.755 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.5 mt -114.3 121.07 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.28 111.158 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -73.3 102.29 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 2.5800000000000001 110.641 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.423 ' O ' HG22 ' A' ' 9' ' ' VAL . . . -59.24 171.38 5.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.944 -0.646 . . . . 0.48999999999999999 112.665 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.633 HG22 HE22 ' A' ' 8' ' ' GLN . 3.3 t -122.06 145.76 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.386 . . . . 0.80000000000000004 111.254 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 52' ' ' ILE . 51.0 m -134.33 129.56 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.975 -0.557 . . . . 1.3999999999999999 110.654 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -131.03 124.78 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 2.1600000000000001 110.574 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.8 mt -108.7 119.15 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 1.1599999999999999 111.455 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 48.8 t -108.03 114.75 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 0.52000000000000002 110.769 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.558 ' H ' ' HB2' ' A' ' 4' ' ' SER . 25.7 t-80 -103.19 116.1 31.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.483 -0.326 . . . . 1.3100000000000001 110.805 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -138.19 101.44 4.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.315 -0.402 . . . . 2.5299999999999998 111.465 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 46.17 69.22 0.86 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.101 -0.499 . . . . 1.77 113.663 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 68.44 -20.68 0.14 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.214 0.45 . . . . 3.1499999999999999 112.214 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 45' ' ' GLY . 50.5 mtmt -90.92 108.43 19.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 2.71 110.536 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.4 t -109.36 128.4 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 1.3600000000000001 111.445 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -106.76 134.32 50.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 2.54 110.683 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' HB2' ' HE2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -106.1 125.15 50.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.6899999999999999 110.588 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 71.7 m -120.69 127.43 52.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.63 111.266 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 39' ' ' SER . 46.2 mm -129.54 125.67 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 1.76 110.42 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.7 m -110.52 130.53 55.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.935 0.398 . . . . 1.0 111.881 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -121.5 109.2 14.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.908 -0.587 . . . . 4.1799999999999997 110.606 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.25 -83.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 2.0 112.709 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.2 p -138.55 15.36 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.697 0.284 . . . . 2.2000000000000002 111.141 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -111.8 135.5 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 2.5099999999999998 110.941 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.2 t -109.55 126.68 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 1.3799999999999999 110.592 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 51' ' ' THR . 50.5 mm -112.65 116.51 52.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 1.6000000000000001 110.894 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -114.17 136.8 52.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 2.7400000000000002 111.2 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.432 ' ND2' HD11 ' A' ' 71' ' ' LEU . 14.1 m120 -139.33 160.4 39.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.108 -0.496 . . . . 1.79 110.834 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -138.01 135.56 36.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 2.0099999999999998 110.845 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.48 ' HE2' ' HB2' ' A' ' 50' ' ' LEU . 29.7 p90 -148.82 151.83 35.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 1.6599999999999999 111.295 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' A' ' 67' ' ' GLU . 24.7 m -107.26 127.87 53.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 0.62 111.026 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.48 136.7 58.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.236 -0.438 . . . . 1.5700000000000001 110.816 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.515 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 62.77 34.86 90.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.80000000000000004 112.31 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 39.0 tt0 -155.97 128.25 7.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 2.6600000000000001 111.198 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 42.0 tt0 -74.44 119.19 18.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.173 -0.467 . . . . 1.3200000000000001 110.776 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.2 t -119.12 157.56 27.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.8600000000000001 110.667 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -95.72 120.27 35.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 1.71 111.071 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.432 HD11 ' ND2' ' A' ' 61' ' ' ASN . 54.2 tp -119.27 144.42 46.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 1.9099999999999999 110.72 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -88.06 146.85 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 2.1099999999999999 110.731 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.605 HG23 ' H ' ' A' ' 75' ' ' THR . 8.9 t -92.03 177.56 6.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.446 . . . . 1.76 110.308 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 49.0 ttp -66.38 -15.4 63.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.683 0.278 . . . . 3.79 111.043 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.605 ' H ' HG23 ' A' ' 73' ' ' THR . 18.4 p -93.33 -8.51 41.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.454 -0.339 . . . . 2.23 111.166 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.87 -5.08 63.63 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.698 -0.763 . . . . 1.47 112.894 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.48 140.31 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 1.9399999999999999 111.104 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -91.45 119.29 31.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 2.9399999999999999 110.805 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.11 148.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 1.0600000000000001 111.088 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -95.9 133.66 39.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.305 -0.407 . . . . 3.1299999999999999 110.827 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.75 142.48 27.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.68999999999999995 111.539 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 4.5 p -114.49 118.81 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 1.3999999999999999 110.951 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -109.1 122.52 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 1.26 111.056 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.515 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 39.7 mtmt -133.2 151.33 51.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 2.1099999999999999 110.799 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.1 ptm -98.3 144.25 27.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 2.6200000000000001 110.438 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -98.33 -12.23 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 2.0600000000000001 110.83 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.39 -120.16 2.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 1.6200000000000001 113.027 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -91.68 129.45 37.65 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.071 0.462 . . . . 2.8399999999999999 110.981 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.663 HD21 ' HE3' ' A' ' 90' ' ' LYS . 1.8 p-10 51.39 12.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.151 -0.931 . . . . 2.2200000000000002 112.868 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.663 ' HE3' HD21 ' A' ' 89' ' ' ASN . 53.0 mttt -137.8 125.6 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 2.0499999999999998 112.092 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.4 mtt -141.39 133.59 27.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.532 -0.758 . . . . 1.96 110.004 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.5 t -112.17 118.15 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.988 0.423 . . . . 1.46 111.765 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.523 HG23 ' HB2' ' A' ' 100' ' ' SER . 5.0 t -134.35 122.98 23.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 0.52000000000000002 110.366 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.6 m -126.42 140.21 52.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 1.23 111.521 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -138.66 130.37 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.95999999999999996 110.99 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp 60.16 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.083 -0.508 . . . . 2.52 111.525 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.14 15.58 0.88 Allowed Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.699 -0.762 . . . . 0.82999999999999996 112.564 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.534 HD12 ' HB3' ' A' ' 115' ' ' LEU . 45.0 mm -104.45 138.04 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 1.45 110.881 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.65 118.25 32.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 2.71 110.425 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.523 ' HB2' HG23 ' A' ' 93' ' ' THR . 57.9 m -122.14 120.98 35.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 1.23 111.282 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.0 t -124.03 121.95 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.58999999999999997 110.64 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 84.7 m -114.88 128.4 56.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.983 -0.553 . . . . 0.58999999999999997 111.605 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 39.6 mt-10 -96.46 123.45 40.12 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.848 -0.427 . . . . 2.1000000000000001 109.848 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.602 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -101.65 117.53 35.08 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.715 0.635 . . . . 0.82999999999999996 112.715 -178.154 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.494 HD21 ' HB2' ' A' ' 89' ' ' ASN . 11.8 m120 -124.47 153.17 42.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.523 -0.762 . . . . 1.72 110.413 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.25 39.69 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 1.4399999999999999 112.772 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -172.74 -29.75 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.67 0.235 . . . . 2.5499999999999998 111.536 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.4 p -140.9 146.31 37.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.767 0.318 . . . . 1.53 111.583 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.9 mm -125.38 120.49 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 1.54 111.088 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.9 m -115.91 138.11 51.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.166 -0.47 . . . . 0.44 111.225 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.605 HD21 ' HG3' ' A' ' 113' ' ' MET . 9.2 t30 -121.93 138.67 54.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 1.95 110.586 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' SER . 2.9 m -120.1 120.53 36.51 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.93 0.345 . . . . 0.56999999999999995 111.93 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.605 ' HG3' HD21 ' A' ' 111' ' ' ASN . 66.7 mtt -124.57 120.85 33.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 1.51 110.036 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.8 m -121.32 121.05 36.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.056 0.455 . . . . 0.56000000000000005 111.644 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.534 ' HB3' HD12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -145.2 115.88 7.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.744 -0.662 . . . . 1.8500000000000001 110.462 179.411 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.26 47.57 83.45 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.608 -0.806 . . . . 1.8 112.744 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.8 t70 67.13 3.11 3.03 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.776 0.287 . . . . 2.23 111.776 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 29.1 mt -87.77 136.72 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.82999999999999996 111.172 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.8 t -111.72 117.89 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.131 0.491 . . . . 1.3500000000000001 111.848 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.537 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 21.7 t80 -116.79 118.05 31.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.573 -0.74 . . . . 1.6699999999999999 109.241 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.624 ' N ' HE22 ' A' ' 12' ' ' GLN . 39.2 ttpt -129.26 124.34 34.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.691 0.281 . . . . 2.0499999999999998 111.679 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -102.4 123.95 47.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.014 0.435 . . . . 2.3199999999999998 111.067 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.46 120.6 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.717 -0.674 . . . . 0.40999999999999998 110.376 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 17.3 m -129.71 144.97 51.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.965 0.412 . . . . 1.1399999999999999 111.574 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -109.06 149.5 29.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.747 -0.66 . . . . 2.04 110.787 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -70.67 138.76 50.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 3.0899999999999999 111.219 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 pt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 1.3100000000000001 111.147 179.873 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.771 0.319 . . . . 1.53 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.32 168.04 28.9 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.789 -0.719 . . . . 0.54000000000000004 112.589 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.556 ' HD2' HD11 ' A' ' 127' ' ' ILE . 17.4 ttmm -110.83 128.68 55.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.35 . . . . 2.3799999999999999 110.92 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -120.85 141.14 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.1299999999999999 110.434 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.656 HE22 HG22 ' A' ' 38' ' ' VAL . 8.4 tp-100 -116.39 127.1 54.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 1.3899999999999999 111.204 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.72 140.18 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 1.24 110.73 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -129.4 -17.97 3.67 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.452 -0.34 . . . . 2.2000000000000002 111.819 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 t -167.67 161.4 13.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.988 0.423 . . . . 1.72 111.604 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.555 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 16.1 tm0? -146.01 154.62 42.08 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.879 -0.6 . . . . 2.0099999999999998 110.703 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -109.01 129.74 55.46 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.643 0.258 . . . . 2.3900000000000001 111.198 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.586 HD22 ' HG2' ' A' ' 17' ' ' PRO . 16.7 m120 66.05 117.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.321 -0.399 . . . . 1.8799999999999999 111.162 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -121.75 -64.83 1.18 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.979 0.419 . . . . 3.2599999999999998 111.436 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 34.7 mt-10 -55.27 -46.27 99.72 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 112.779 0.659 . . . . 1.96 112.779 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.586 ' HG2' HD22 ' A' ' 14' ' ' ASN . 61.6 Cg_exo -52.49 -41.26 68.82 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 121.646 1.564 . . . . 0.71999999999999997 113.14 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.505 ' HD2' HD11 ' A' ' 29' ' ' ILE . 59.8 t80 -58.28 -52.23 66.45 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.556 0.576 . . . . 1.46 112.556 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.685 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 1.9 ppp? -59.82 -36.24 76.38 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.815 0.302 . . . . 4.4800000000000004 111.815 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 63.8 mttm -61.17 -45.93 92.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.292 0.478 . . . . 2.27 112.292 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.77 -76.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.37 0.507 . . . . 0.84999999999999998 112.37 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.3 tpp -44.79 -23.39 0.13 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.31 -0.859 . . . . 2.0499999999999998 112.405 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.89 10.32 58.89 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.437 -0.887 . . . . 0.96999999999999997 111.17 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.685 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 21.0 tp -74.51 147.1 84.56 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.203 -0.666 . . . . 1.45 109.203 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.532 ' HD2' HD12 ' A' ' 24' ' ' LEU . 91.5 Cg_endo -78.03 128.51 9.16 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.201 1.934 . . . . 0.93999999999999995 112.097 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.539 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 39.9 tt0 -52.59 -25.99 12.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.361 -0.381 . . . . 1.99 110.984 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.07 -46.71 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.52 -0.309 . . . . 2.29 110.917 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.481 HD13 ' HG2' ' A' ' 25' ' ' PRO . 9.7 mp -66.54 -41.03 89.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 1.6499999999999999 111.229 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.505 HD11 ' HD2' ' A' ' 18' ' ' PHE . 7.7 mt -63.73 -46.29 94.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 1.27 110.996 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -63.72 -38.61 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.4399999999999999 110.988 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -67.86 -31.68 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 2.8399999999999999 110.728 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.16 -49.52 15.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.859 -0.686 . . . . 0.82999999999999996 112.704 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -60.29 -29.18 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 1.8200000000000001 111.072 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -68.84 -47.82 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 1.8899999999999999 110.947 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.58 120.12 37.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 1.28 111.205 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -59.26 121.44 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.38 -0.373 . . . . 2.5800000000000001 110.318 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.58 159.06 52.91 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.852 -0.689 . . . . 0.48999999999999999 112.865 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.656 HG22 HE22 ' A' ' 8' ' ' GLN . 21.2 t -122.81 136.52 59.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 0.80000000000000004 110.485 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 52' ' ' ILE . 78.1 p -135.3 130.91 35.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.956 0.408 . . . . 1.3999999999999999 111.442 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -134.75 126.31 28.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 2.1600000000000001 110.421 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.9 mt -113.09 125.21 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 1.1599999999999999 111.817 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -106.51 114.73 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.52000000000000002 109.445 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -101.44 116.76 33.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.091 0.472 . . . . 1.3100000000000001 111.842 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.6 101.72 4.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.766 -0.652 . . . . 2.5299999999999998 110.065 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.41 -102.24 0.25 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.725 -0.75 . . . . 1.77 112.076 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -118.01 -9.07 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 3.1499999999999999 110.431 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -95.59 111.12 23.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.965 -0.561 . . . . 2.71 110.723 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -115.28 133.58 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 1.3600000000000001 111.107 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -112.13 133.22 54.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 2.54 110.936 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tt -115.69 126.68 54.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 1.6899999999999999 110.54 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -118.95 127.44 53.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.63 111.549 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 39' ' ' SER . 45.1 mm -126.45 133.13 69.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 1.76 110.508 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.4 m -118.02 130.72 56.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 1.0 111.563 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -121.22 108.48 13.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.913 -0.585 . . . . 4.1799999999999997 110.543 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.53 -84.22 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 2.0 112.614 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.6 p -139.99 14.97 2.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.758 0.313 . . . . 2.2000000000000002 111.118 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -109.77 130.45 55.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.434 -0.348 . . . . 2.5099999999999998 110.939 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 p -98.89 131.58 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 1.3799999999999999 110.786 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.4 mt -120.7 115.97 48.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 1.6000000000000001 110.578 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -113.18 128.5 56.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 2.7400000000000002 111.22 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.444 ' ND2' HD11 ' A' ' 71' ' ' LEU . 15.8 m120 -135.38 161.27 35.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.149 -0.478 . . . . 1.79 110.998 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.63 139.88 28.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 2.0099999999999998 110.369 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.471 ' CD1' HG11 ' A' ' 83' ' ' VAL . 7.8 p90 -148.28 151.76 35.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.01 0.433 . . . . 1.6599999999999999 111.409 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.4 m -102.76 130.64 49.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.907 -0.588 . . . . 0.62 110.989 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.453 HD13 ' SD ' ' A' ' 85' ' ' MET . 38.7 mt -70.06 136.91 50.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 1.5700000000000001 111.212 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.67 15.1 79.43 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.981 -0.628 . . . . 0.80000000000000004 113.15 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -146.71 145.71 30.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.983 0.42 . . . . 2.6600000000000001 111.381 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -76.62 119.99 21.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.865 -0.607 . . . . 1.3200000000000001 110.387 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.4 m -118.64 151.04 38.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 1.8600000000000001 111.044 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -98.77 119.84 38.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 1.71 110.921 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.444 HD11 ' ND2' ' A' ' 61' ' ' ASN . 30.2 tp -119.95 146.49 45.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 1.9099999999999999 110.798 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -85.16 125.15 32.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.493 . . . . 2.1099999999999999 110.99 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.5 p -75.03 170.61 15.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 1.76 111.207 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -13.11 61.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 3.79 110.84 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.2 p -92.82 -21.31 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 2.23 111.088 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.3 6.83 35.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.873 -0.68 . . . . 1.47 112.219 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -90.28 141.31 28.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 1.9399999999999999 110.736 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -86.82 121.25 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 2.9399999999999999 110.844 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.6 m -125.51 150.22 30.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 1.0600000000000001 111.182 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -113.53 132.68 55.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 3.1299999999999999 110.45 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 95' ' ' PHE . . . -146.17 143.24 29.15 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.052 0.39 . . . . 0.68999999999999995 112.052 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.42 117.99 44.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.897 -0.592 . . . . 1.3999999999999999 110.883 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 63' ' ' PHE . 3.2 p -109.48 119.5 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 1.26 111.219 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 9.8 mtpm? -118.04 151.5 37.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.23 -0.441 . . . . 2.1099999999999999 110.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.453 ' SD ' HD13 ' A' ' 65' ' ' LEU . 17.9 ptt? -115.48 139.28 50.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.33 -0.396 . . . . 2.6200000000000001 110.992 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -105.73 -15.69 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.524 . . . . 2.0600000000000001 110.183 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.73 18.46 56.61 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.51 -0.768 . . . . 1.6200000000000001 112.823 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -150.28 75.24 1.23 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.277 . . . . 2.8399999999999999 111.603 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 2.3 m-80 53.73 15.51 0.81 Allowed 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.673 0.62 . . . . 2.2200000000000002 112.673 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -134.95 130.57 36.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.431 0.634 . . . . 2.0499999999999998 112.545 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.622 ' HB2' ' HB ' ' A' ' 102' ' ' THR . 96.8 mmm -141.45 124.09 15.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.984 -1.007 . . . . 1.96 109.435 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.0 118.81 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.049 0.452 . . . . 1.46 112.182 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.637 HG23 ' HB2' ' A' ' 100' ' ' SER . 2.6 t -134.19 119.6 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.52000000000000002 110.349 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 83.2 m -119.48 128.34 53.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.558 -0.292 . . . . 1.23 111.432 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.4 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 39.4 p90 -135.82 131.31 35.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.95999999999999996 110.973 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 59.41 -85.71 0.02 OUTLIER 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.965 -0.561 . . . . 2.52 111.35 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.67 1.38 0.34 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.853 -0.689 . . . . 0.82999999999999996 112.387 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 98' ' ' ILE . 3.5 mp -90.19 136.86 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.642 0.258 . . . . 1.45 110.824 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -97.4 120.4 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 2.71 110.806 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.637 ' HB2' HG23 ' A' ' 93' ' ' THR . 70.7 m -121.94 121.25 36.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.161 -0.472 . . . . 1.23 111.139 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 t -120.11 122.6 68.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.09 -0.504 . . . . 0.58999999999999997 110.486 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.622 ' HB ' ' HB2' ' A' ' 91' ' ' MET . 86.5 m -114.34 128.79 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.422 -0.354 . . . . 0.58999999999999997 111.812 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 32.6 tt0 -96.5 120.32 36.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.417 -0.586 . . . . 2.1000000000000001 109.417 178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.571 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -94.92 116.47 28.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.338 0.589 . . . . 0.82999999999999996 112.533 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.416 HD21 ' HG2' ' A' ' 103' ' ' GLU . 6.9 m120 -125.43 153.07 44.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.507 -0.769 . . . . 1.72 110.328 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.35 23.47 6.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.46 -0.876 . . . . 1.4399999999999999 112.045 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -146.27 -45.07 0.19 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.614 0.245 . . . . 2.5499999999999998 111.416 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 26.7 m -140.53 126.62 19.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.821 0.343 . . . . 1.53 111.496 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 109' ' ' ILE . 1.8 mp -102.25 120.83 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 1.54 110.628 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.9 m -115.91 139.81 49.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.058 -0.519 . . . . 0.44 111.649 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.675 ' HB3' ' HG2' ' A' ' 122' ' ' ARG . 2.7 t-20 -124.06 141.94 51.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.692 0.282 . . . . 1.95 110.791 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 100' ' ' SER . 5.5 m -117.64 123.28 45.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.322 -0.399 . . . . 0.56999999999999995 111.724 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.477 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 88.8 mtp -124.71 120.74 32.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 1.51 110.099 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 98' ' ' ILE . 37.4 m -113.55 121.51 44.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.379 . . . . 0.56000000000000005 111.832 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 115' ' ' LEU . 3.2 tm? -144.71 115.86 7.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 1.8500000000000001 110.135 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.65 43.76 95.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.518 -0.849 . . . . 1.8 112.29 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 67.44 3.24 3.23 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.387 0.275 . . . . 2.23 111.644 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.438 HD13 ' C ' ' A' ' 17' ' ' PRO . 17.2 mt -88.78 137.82 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.82999999999999996 111.308 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.1 t -107.53 116.64 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.176 0.513 . . . . 1.3500000000000001 111.307 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.499 ' HA ' HE22 ' A' ' 12' ' ' GLN . 36.0 t80 -113.39 118.61 35.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.844 -0.798 . . . . 1.6699999999999999 108.844 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.555 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 23.7 ttmm -128.08 129.48 46.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.549 -0.296 . . . . 2.0499999999999998 111.547 -178.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.675 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 12.0 ptp180 -107.34 133.77 51.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.917 0.389 . . . . 2.3199999999999998 110.962 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.67 119.84 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.40999999999999998 110.7 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 80.4 p -131.57 141.38 49.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.438 -0.347 . . . . 1.1399999999999999 111.247 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -105.77 148.77 27.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.204 -0.453 . . . . 2.04 110.723 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -84.75 126.43 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 3.0899999999999999 111.174 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.556 HD11 ' HD2' ' A' ' 6' ' ' LYS . 22.4 pt . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.013 -0.54 . . . . 1.3100000000000001 111.085 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB2' ' HB3' ' A' ' 43' ' ' HIS . 38.7 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.931 0.396 . . . . 1.53 110.424 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.52 177.32 40.84 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.689 -0.767 . . . . 0.54000000000000004 112.652 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -108.55 129.86 55.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.958 0.409 . . . . 2.3799999999999999 111.496 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.41 ' HB3' ' HB3' ' A' ' 124' ' ' SER . 25.8 m-85 -118.01 150.02 39.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.836 -0.62 . . . . 1.1299999999999999 110.125 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.637 HE22 HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -117.5 128.12 54.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.012 0.375 . . . . 1.3899999999999999 112.012 -178.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.73 117.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.918 -0.583 . . . . 1.24 110.163 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.408 ' HG3' ' NZ ' ' A' ' 125' ' ' LYS . 81.4 mm-40 -93.05 -34.96 13.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.1 0.408 . . . . 2.2000000000000002 112.1 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.1 p -165.56 168.53 16.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 1.72 111.56 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.509 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 17.7 tm0? -143.51 140.74 30.44 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.873 -0.603 . . . . 2.0099999999999998 110.573 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.94 131.66 40.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.518 -0.31 . . . . 2.3900000000000001 111.441 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 63.5 98.09 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.204 -0.453 . . . . 1.8799999999999999 110.897 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.46 -55.6 2.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 3.2599999999999998 111.139 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.55 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 44.1 mt-10 -50.85 -50.0 76.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.299 0.481 . . . . 1.96 112.299 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 27.3 Cg_endo -62.8 -40.3 36.9 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 121.918 1.745 . . . . 0.71999999999999997 112.995 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CA ' HG21 ' A' ' 118' ' ' ILE . 8.0 t80 -67.7 -52.1 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.997 0.427 . . . . 1.46 111.56 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.616 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.72 -43.97 97.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.901 -0.59 . . . . 4.4800000000000004 112.299 -178.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' N ' ' SD ' ' A' ' 19' ' ' MET . 13.5 tttm -70.55 -38.41 74.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.271 -0.422 . . . . 2.27 111.742 -178.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -9.21 19.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.84999999999999998 110.836 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.5 tpt -104.39 -67.7 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 2.0499999999999998 110.812 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.75 6.66 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.948 -0.644 . . . . 0.96999999999999997 112.25 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.616 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 18.6 tp -83.41 129.22 61.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 110.575 -0.157 . . . . 1.45 110.575 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.624 ' O ' HD12 ' A' ' 29' ' ' ILE . 71.6 Cg_endo -75.11 129.29 12.11 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.429 2.086 . . . . 0.93999999999999995 112.163 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.517 ' HA ' HD13 ' A' ' 29' ' ' ILE . 13.7 pt-20 -48.88 -25.74 2.07 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.127 -0.488 . . . . 1.99 112.018 -178.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.61 -47.56 83.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.8 0.334 . . . . 2.29 110.741 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.596 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.1 mp -69.48 -37.88 77.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.465 . . . . 1.6499999999999999 111.647 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 25' ' ' PRO . 3.7 mp -62.28 -43.21 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.616 -0.266 . . . . 1.27 111.275 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -60.64 -46.6 89.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 1.4399999999999999 111.412 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.81 -31.39 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 2.8399999999999999 111.471 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.48 -34.97 30.51 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.841 -0.695 . . . . 0.82999999999999996 113.431 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.94 -25.09 61.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.908 0.354 . . . . 1.8200000000000001 111.057 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.67 -29.99 71.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.8899999999999999 110.806 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.3 mt -102.45 122.67 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.28 110.961 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -59.34 122.26 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 2.5800000000000001 110.871 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.59 159.33 34.7 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.821 -0.704 . . . . 0.48999999999999999 112.519 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.637 HG22 HE22 ' A' ' 8' ' ' GLN . 21.9 t -122.34 133.72 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.715 0.293 . . . . 0.80000000000000004 110.765 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 m -135.19 135.95 41.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.353 -0.385 . . . . 1.3999999999999999 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -134.86 129.65 34.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 2.1600000000000001 110.795 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.422 HD12 HD21 ' A' ' 50' ' ' LEU . 4.0 mm -110.74 118.65 57.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.905 0.383 . . . . 1.1599999999999999 111.359 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 49' ' ' LYS . 46.9 t -107.85 123.09 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.691 -0.686 . . . . 0.52000000000000002 110.227 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 4' ' ' SER . 15.2 t-80 -107.56 116.18 31.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 1.3100000000000001 111.62 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -137.62 102.01 4.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.984 -0.553 . . . . 2.5299999999999998 110.33 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.58 -105.3 0.79 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.643 -0.789 . . . . 1.77 111.996 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HG3' ' HD3' ' A' ' 47' ' ' LYS . 16.1 ptpt -118.78 -8.15 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 3.1499999999999999 110.465 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HD3' ' HG3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -96.56 116.29 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 2.71 110.437 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 63' ' ' PHE . 10.1 p -105.39 136.81 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 1.3600000000000001 111.086 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.551 ' HB2' ' HB ' ' A' ' 42' ' ' VAL . 7.6 mtpm? -109.32 123.61 49.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.159 -0.473 . . . . 2.54 110.654 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.422 HD21 HD12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -112.9 123.48 50.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 1.6899999999999999 110.444 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.5 m -125.34 127.13 46.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.317 -0.401 . . . . 0.63 111.241 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 58.3 mt -128.9 123.99 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.848 -0.615 . . . . 1.76 110.154 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.5 m -111.46 129.89 55.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.002 0.429 . . . . 1.0 111.777 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -121.57 109.15 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.721 -0.672 . . . . 4.1799999999999997 110.772 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.37 -83.86 0.13 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.794 -0.717 . . . . 2.0 112.732 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.4 t -138.96 16.48 2.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.33 . . . . 2.2000000000000002 111.139 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -115.35 133.0 56.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 2.5099999999999998 110.907 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.8 t -109.33 126.51 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.3799999999999999 110.636 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.2 mm -113.08 116.51 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.6000000000000001 110.968 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -112.84 131.98 55.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.181 -0.463 . . . . 2.7400000000000002 111.348 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 71' ' ' LEU . 19.6 m120 -152.46 122.58 7.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 1.79 110.705 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -115.38 143.33 45.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 2.0099999999999998 110.706 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.518 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -147.1 150.8 35.74 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.085 0.469 . . . . 1.6599999999999999 111.27 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 46.0 m -97.37 131.09 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 0.62 111.227 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -57.5 140.44 50.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 1.5700000000000001 110.913 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 60.32 48.5 85.84 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.849 -0.691 . . . . 0.80000000000000004 112.678 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -167.21 143.87 4.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.804 0.335 . . . . 2.6600000000000001 111.096 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.9 119.76 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.3200000000000001 110.925 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.7 m -118.54 157.4 27.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.416 . . . . 1.8600000000000001 110.729 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -116.64 119.93 37.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 1.71 111.161 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.428 ' HB2' ' ND2' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -120.06 145.76 46.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.037 -0.529 . . . . 1.9099999999999999 110.859 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.41 127.78 34.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.772 -0.649 . . . . 2.1099999999999999 110.743 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.0 p -84.88 178.05 7.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.042 -0.526 . . . . 1.76 111.168 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -62.98 -37.21 86.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 3.79 110.51 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.4 p -64.77 -18.27 64.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.025 -0.534 . . . . 2.23 110.974 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.49 -3.96 61.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.958 -0.639 . . . . 1.47 111.94 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.13 143.55 33.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 1.9399999999999999 110.827 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -92.5 119.39 31.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 2.9399999999999999 110.964 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.73 139.09 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 1.0600000000000001 111.457 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -107.87 132.85 53.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 3.1299999999999999 110.876 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.67 146.98 30.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.395 . . . . 0.68999999999999995 111.953 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.33 119.71 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.942 -0.572 . . . . 1.3999999999999999 110.533 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 p -108.97 122.52 63.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.205 -0.452 . . . . 1.26 111.185 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 42.3 mtpt -134.52 151.21 50.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.461 . . . . 2.1099999999999999 110.691 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 ptm -101.37 135.79 42.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 2.6200000000000001 110.742 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -89.89 -15.47 32.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.964 0.412 . . . . 2.0600000000000001 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.83 -118.74 2.13 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.734 -0.746 . . . . 1.6200000000000001 113.085 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.39 123.2 46.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.032 0.444 . . . . 2.8399999999999999 111.47 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.501 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 28.7 m-80 73.17 -3.54 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.11 -0.95 . . . . 2.2200000000000002 112.505 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.74 130.11 45.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.587 . . . . 2.0499999999999998 112.316 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 23.8 mmt -140.45 136.74 33.32 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.203 -0.908 . . . . 1.96 109.519 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.96 119.71 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.2 0.524 . . . . 1.46 112.278 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 100' ' ' SER . 4.6 t -133.83 132.8 40.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.52000000000000002 110.51 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.5 m -121.49 126.39 49.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.648 0.261 . . . . 1.23 111.472 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -138.64 136.68 36.15 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.247 -0.433 . . . . 0.95999999999999996 111.051 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 52.82 -94.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.086 -0.506 . . . . 2.52 111.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.61 -6.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.97 -0.634 . . . . 0.82999999999999996 112.133 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 82.4 mt -89.69 137.77 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 1.45 110.665 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -97.13 127.03 42.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 2.71 110.944 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.495 ' HB3' HG23 ' A' ' 93' ' ' THR . 39.6 t -121.7 120.48 34.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 1.23 111.096 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.0 t -116.2 122.97 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.58999999999999997 109.832 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.2 m -113.62 128.14 56.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.963 0.411 . . . . 0.58999999999999997 112.077 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 35.4 tt0 -96.15 122.95 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.738 -0.838 . . . . 2.1000000000000001 108.738 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -105.9 117.03 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.168 0.509 . . . . 0.82999999999999996 112.344 -178.312 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.411 ' HA ' HD22 ' A' ' 105' ' ' ASN . 1.1 t-20 -125.85 153.73 43.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.825 -0.625 . . . . 1.72 110.241 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.39 40.27 1.74 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.614 -0.803 . . . . 1.4399999999999999 112.877 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.35 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.66 0.266 . . . . 2.5499999999999998 111.357 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.5 p -141.2 145.73 36.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.817 0.342 . . . . 1.53 111.585 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.1 mt -124.2 123.25 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 1.54 110.74 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 m -112.93 139.0 48.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.44 111.072 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -121.49 135.08 55.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.408 . . . . 1.95 110.794 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -119.53 117.5 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.56999999999999995 111.526 -179.579 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.57 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 64.0 mtt -123.64 120.6 33.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 1.51 109.833 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 97.6 m -121.42 121.93 38.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.863 0.363 . . . . 0.56000000000000005 111.395 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -132.51 116.38 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 1.8500000000000001 110.468 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.72 -77.16 0.95 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.632 -0.794 . . . . 1.8 111.734 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -155.85 4.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 2.23 111.09 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 17' ' ' PRO . 3.3 mm -89.29 137.47 21.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 111.893 0.331 . . . . 0.82999999999999996 111.893 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -105.52 120.45 56.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 1.3500000000000001 111.001 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.57 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 45.5 t80 -114.12 119.34 36.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 1.6699999999999999 110.755 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.509 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 40.3 ttpt -129.4 123.99 33.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 2.0499999999999998 110.943 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -108.21 129.42 55.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.392 . . . . 2.3199999999999998 111.023 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.69 119.81 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 0.40999999999999998 110.431 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' A' ' 7' ' ' TYR . 19.4 m -131.24 148.54 52.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 1.1399999999999999 111.385 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.408 ' NZ ' ' HG3' ' A' ' 10' ' ' GLN . 5.6 ptpp? -128.46 146.07 50.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.929 -0.578 . . . . 2.04 110.709 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -72.14 135.26 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 3.0899999999999999 111.056 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 30.4 pt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 1.3100000000000001 111.041 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.748 0.308 . . . . 1.53 111.127 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.46 151.7 9.1 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.933 -0.651 . . . . 0.54000000000000004 112.253 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HE3' HD11 ' A' ' 127' ' ' ILE . 61.9 tttp -94.54 118.86 32.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 2.3799999999999999 111.077 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -117.14 146.82 42.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.916 -0.584 . . . . 1.1299999999999999 110.248 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.656 HE22 HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -122.38 128.25 50.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.861 0.363 . . . . 1.3899999999999999 111.866 -178.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.586 HG22 ' HE ' ' A' ' 122' ' ' ARG . 47.2 t -70.76 127.87 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.945 -0.57 . . . . 1.24 109.995 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -104.45 -30.38 10.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.132 0.419 . . . . 2.2000000000000002 112.132 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.1 p -166.38 164.04 17.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.202 0.525 . . . . 1.72 111.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.504 HE22 ' H ' ' A' ' 121' ' ' LYS . 39.2 tp60 -145.58 147.62 32.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.464 -0.789 . . . . 2.0099999999999998 110.228 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -97.58 127.39 43.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.555 -0.293 . . . . 2.3900000000000001 110.747 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 67.81 145.48 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.331 -0.395 . . . . 1.8799999999999999 111.002 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -146.71 -57.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.056 0.455 . . . . 3.2599999999999998 111.347 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 42.3 mt-10 -54.21 -50.09 86.6 Favored Pre-proline 0 CA--C 1.535 0.373 0 N-CA-C 112.767 0.655 . . . . 1.96 112.767 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 51.3 Cg_endo -68.19 -42.5 5.72 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.608 1.539 . . . . 0.71999999999999997 113.62 -178.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.18 -51.81 61.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.906 0.384 . . . . 1.46 111.173 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.605 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 26.5 mmt -63.72 -43.09 97.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.931 -0.577 . . . . 4.4800000000000004 111.657 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -59.2 -41.63 88.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.749 0.309 . . . . 2.27 110.687 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.39 -22.23 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.84999999999999998 110.319 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.0 tpt -89.6 -75.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.779 -0.646 . . . . 2.0499999999999998 110.596 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.02 39.19 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.835 -0.62 . . . . 0.96999999999999997 112.302 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 14.2 tp -115.64 134.82 22.61 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.48 0.181 . . . . 1.45 110.87 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HG2' HD13 ' A' ' 28' ' ' LEU . 74.0 Cg_endo -73.93 135.64 21.57 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.632 2.222 . . . . 0.93999999999999995 112.906 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.771 ' HA ' HD12 ' A' ' 29' ' ' ILE . 45.1 mt-10 -52.07 -33.45 39.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 1.99 111.816 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.11 -48.58 79.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.663 0.268 . . . . 2.29 111.222 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.1 mp -70.62 -37.38 73.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.293 -0.412 . . . . 1.6499999999999999 111.387 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 26' ' ' GLU . 30.9 mt -60.67 -46.78 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 1.27 112.192 -178.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 29.9 mm-40 -60.4 -42.39 95.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.741 0.305 . . . . 1.4399999999999999 111.178 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -69.28 -32.37 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 2.8399999999999999 111.21 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.46 -47.22 22.78 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.849 -0.691 . . . . 0.82999999999999996 112.932 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -61.75 -31.34 71.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.763 0.316 . . . . 1.8200000000000001 111.102 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.81 -21.01 65.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 1.8899999999999999 110.669 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -111.87 123.5 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 1.28 111.015 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -59.66 114.62 2.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 2.5800000000000001 110.644 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.76 156.21 13.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.717 . . . . 0.48999999999999999 112.731 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.656 HG22 HE22 ' A' ' 8' ' ' GLN . 20.6 t -122.2 133.05 69.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.699 0.285 . . . . 0.80000000000000004 110.714 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 m -136.07 134.62 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.935 0.397 . . . . 1.3999999999999999 111.408 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -134.86 134.85 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 2.1600000000000001 110.129 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mt -123.16 119.09 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.986 0.422 . . . . 1.1599999999999999 112.127 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -108.03 114.3 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.52000000000000002 109.562 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -115.98 116.61 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.026 0.441 . . . . 1.3100000000000001 111.822 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -137.82 102.0 4.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.855 -0.611 . . . . 2.5299999999999998 110.909 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 64.72 57.59 12.12 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.887 -0.673 . . . . 1.77 113.006 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 mttp 66.78 -8.96 0.37 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.808 0.299 . . . . 3.1499999999999999 111.808 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' GLY . 79.3 tttt -91.01 108.54 19.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.02 -0.363 . . . . 2.71 110.02 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 63' ' ' PHE . 9.1 p -107.39 142.31 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.419 0.526 . . . . 1.3600000000000001 112.419 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -126.76 123.97 38.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.519 -0.764 . . . . 2.54 109.595 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 51' ' ' THR . 1.7 tt -111.35 130.45 55.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.911 0.386 . . . . 1.6899999999999999 111.221 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.502 ' N ' HD23 ' A' ' 50' ' ' LEU . 49.0 m -122.44 126.78 48.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.63 110.982 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.5 mt -127.38 126.51 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.534 . . . . 1.76 110.59 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.9 m -117.12 131.03 56.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 1.0 111.796 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -120.86 109.12 14.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.904 -0.589 . . . . 4.1799999999999997 110.559 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.85 -84.74 0.11 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.699 -0.763 . . . . 2.0 112.65 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -137.19 19.14 2.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.782 0.325 . . . . 2.2000000000000002 111.107 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -115.23 123.76 49.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 2.5099999999999998 111.147 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.1 t -99.63 126.79 52.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.3799999999999999 110.733 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.8 mm -116.25 117.78 56.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 1.6000000000000001 111.049 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -106.37 140.01 39.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.003 -0.544 . . . . 2.7400000000000002 111.262 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -147.63 156.68 43.04 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.244 -0.435 . . . . 1.79 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -145.61 130.29 18.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.25 -0.432 . . . . 2.0099999999999998 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.517 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -134.13 152.72 51.96 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.035 0.445 . . . . 1.6599999999999999 111.309 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.5 m -111.66 116.07 30.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.831 -0.622 . . . . 0.62 109.441 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.1 pp -48.26 146.35 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.973 0.416 . . . . 1.5700000000000001 111.736 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 56.15 26.9 50.84 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.897 -0.592 . . . . 0.80000000000000004 112.97 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -143.89 148.09 34.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.78 0.324 . . . . 2.6600000000000001 110.968 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -88.45 124.28 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 1.3200000000000001 110.84 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' HD21 ' A' ' 71' ' ' LEU . 22.2 p -125.6 157.71 36.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 1.8600000000000001 111.009 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.59 127.37 41.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 1.71 110.809 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 71' ' ' LEU . 2.8 mm? -118.01 142.99 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 1.9099999999999999 111.285 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.02 126.33 34.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.575 -0.738 . . . . 2.1099999999999999 110.726 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.6 p -80.46 175.93 10.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 1.76 111.188 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -69.82 -26.01 64.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 3.79 110.893 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.7 p -83.36 -45.23 13.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 2.23 111.252 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.61 0.58 3.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.866 -0.683 . . . . 1.47 112.19 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -79.89 142.03 35.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 1.9399999999999999 111.08 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.6 119.52 29.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 2.9399999999999999 110.778 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.3 m -116.7 150.72 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 1.0600000000000001 111.273 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -105.55 128.86 53.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 3.1299999999999999 110.597 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.39 142.35 28.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.68999999999999995 111.934 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.6 120.95 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 1.3999999999999999 110.784 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 63' ' ' PHE . 7.4 p -97.15 122.06 48.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 1.26 110.129 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -128.99 140.23 51.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.206 -0.452 . . . . 2.1099999999999999 110.808 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.86 140.25 34.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 2.6200000000000001 110.62 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -90.91 -10.18 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 2.0600000000000001 110.795 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.96 -109.14 0.72 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.82 -0.705 . . . . 1.6200000000000001 112.963 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 17.4 t70 -111.69 122.69 48.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.955 0.407 . . . . 2.8399999999999999 111.382 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 59.4 t30 74.15 -5.01 2.15 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.374 -0.83 . . . . 2.2200000000000002 112.185 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.95 131.4 45.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.232 0.539 . . . . 2.0499999999999998 112.056 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.2 ttm -141.71 130.44 22.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.395 -0.82 . . . . 1.96 109.83 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.66 118.69 59.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.19 0.519 . . . . 1.46 111.97 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.529 HG23 ' OG ' ' A' ' 100' ' ' SER . 1.2 t -134.39 142.06 47.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.679 -0.691 . . . . 0.52000000000000002 110.654 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.7 p -126.56 129.46 48.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.681 -0.236 . . . . 1.23 111.471 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -139.21 126.64 21.61 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.821 0.343 . . . . 0.95999999999999996 111.828 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HB3' HD13 ' A' ' 98' ' ' ILE . 36.9 ttpt 57.94 21.01 7.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.079 -0.509 . . . . 2.52 111.747 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 91.48 -5.36 80.42 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.647 -0.787 . . . . 0.82999999999999996 112.648 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 98' ' ' ILE . 3.6 mp -89.72 138.28 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.994 -0.373 . . . . 1.45 109.994 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -96.82 122.6 39.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.047 0.451 . . . . 2.71 111.248 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.565 ' HA ' ' O ' ' A' ' 112' ' ' THR . 4.6 p -121.62 120.12 33.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.52 -0.764 . . . . 1.23 109.879 178.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.421 HG12 ' OE1' ' A' ' 103' ' ' GLU . 33.8 t -112.78 122.46 66.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.423 . . . . 0.58999999999999997 110.921 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.0 m -114.5 129.97 56.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.974 -0.557 . . . . 0.58999999999999997 111.657 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -96.09 127.85 42.46 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.084 -0.507 . . . . 2.1000000000000001 109.642 178.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.78 115.74 30.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.223 0.535 . . . . 0.82999999999999996 112.165 -178.811 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.478 ' C ' ' H ' ' A' ' 107' ' ' ASP . 12.7 m120 -126.29 154.43 43.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.687 -0.688 . . . . 1.72 109.998 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.96 24.51 0.42 Allowed Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.528 -0.844 . . . . 1.4399999999999999 112.908 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 105' ' ' ASN . 2.8 p30 -166.72 -21.63 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.951 0.375 . . . . 2.5499999999999998 111.937 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 12.5 t -141.0 146.1 36.81 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.656 0.613 . . . . 1.53 112.656 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.38 123.39 32.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.642 -0.708 . . . . 1.54 110.5 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.3 m -115.27 139.63 49.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.44 111.321 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -115.49 132.85 56.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 1.95 110.958 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 100' ' ' SER . 2.9 m -120.04 118.96 32.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.295 -0.411 . . . . 0.56999999999999995 111.156 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.415 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 67.0 mtt -123.26 121.68 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.753 0.311 . . . . 1.51 110.504 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 35.4 m -114.53 122.87 47.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.916 0.388 . . . . 0.56000000000000005 111.627 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 115' ' ' LEU . 2.4 tm? -129.75 115.56 17.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.975 -0.557 . . . . 1.8500000000000001 109.896 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.59 -85.26 0.11 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 1.8 112.155 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -148.72 20.78 1.02 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.359 . . . . 2.23 110.494 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.1 mt -106.48 137.72 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.82999999999999996 111.326 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.8 t -105.45 123.7 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.107 0.48 . . . . 1.3500000000000001 111.438 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.429 ' HA ' HE22 ' A' ' 12' ' ' GLN . 29.5 t80 -118.3 118.8 32.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.688 -0.687 . . . . 1.6699999999999999 109.784 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.504 ' H ' HE22 ' A' ' 12' ' ' GLN . 39.2 ttpt -128.56 123.46 33.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.808 0.337 . . . . 2.0499999999999998 111.279 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.586 ' HE ' HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -105.48 125.95 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 2.3199999999999998 111.182 -179.661 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.99 118.73 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.94 -0.573 . . . . 0.40999999999999998 110.682 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 90.9 p -134.28 139.88 46.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.884 0.373 . . . . 1.1399999999999999 111.086 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.38 149.01 42.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 2.04 110.809 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -72.26 120.38 17.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 3.0899999999999999 110.994 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.404 HD11 ' HE3' ' A' ' 6' ' ' LYS . 46.2 pt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.031 -0.531 . . . . 1.3100000000000001 111.126 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.4 p . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.831 0.348 . . . . 1.53 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.02 156.62 8.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.837 -0.697 . . . . 0.54000000000000004 112.313 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.46 ' HZ3' ' HB3' ' A' ' 6' ' ' LYS . 6.1 ttpm? -105.77 129.75 53.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 2.3799999999999999 110.715 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.516 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 5.7 m-85 -135.53 125.27 25.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 1.1299999999999999 110.448 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.621 ' H ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -102.07 140.47 36.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.136 0.494 . . . . 1.3899999999999999 110.056 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.513 ' HB ' ' H ' ' A' ' 37' ' ' GLY . 64.6 t -68.32 143.97 14.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.541 -0.299 . . . . 1.24 110.469 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -115.91 -55.15 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.359 . . . . 2.2000000000000002 111.891 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.6 t -148.95 168.68 22.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.132 0.491 . . . . 1.72 111.619 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.518 HE22 ' HA ' ' A' ' 120' ' ' TYR . 48.5 tp60 -141.26 137.39 32.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.68 -0.691 . . . . 2.0099999999999998 110.732 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' HB3' ' A' ' 121' ' ' LYS . 12.0 pt-20 -103.91 140.64 37.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.384 -0.371 . . . . 2.3900000000000001 110.839 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.34 78.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.5 -0.318 . . . . 1.8799999999999999 110.651 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -109.56 -39.01 5.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.275 -0.42 . . . . 3.2599999999999998 110.83 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 19' ' ' MET . 43.2 mt-10 -51.14 -46.85 88.76 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.108 -0.497 . . . . 1.96 111.799 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 57.7 Cg_endo -71.81 -34.09 9.27 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.579 1.519 . . . . 0.71999999999999997 111.504 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.7 -52.03 66.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.639 -0.71 . . . . 1.46 110.941 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.733 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.92 -37.12 75.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 4.4800000000000004 111.033 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HG3' ' HE3' ' A' ' 19' ' ' MET . 65.0 mttm -64.34 -44.04 92.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 2.27 111.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.41 -69.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.84999999999999998 111.599 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.9 tpt -50.35 -25.92 4.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.664 . . . . 2.0499999999999998 111.715 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.38 8.02 47.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.638 -0.792 . . . . 0.96999999999999997 111.891 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.856 HD12 ' HD2' ' A' ' 25' ' ' PRO . 2.8 tp -75.32 142.57 75.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.364 . . . . 1.45 110.362 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.856 ' HD2' HD12 ' A' ' 24' ' ' LEU . 67.8 Cg_endo -78.45 132.06 10.93 Favored 'Trans proline' 0 N--CA 1.474 0.345 0 C-N-CA 123.242 2.628 . . . . 0.93999999999999995 113.114 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 12.9 pt-20 -54.32 -28.08 40.14 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.429 -0.351 . . . . 1.99 110.506 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.0 -47.17 83.81 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.241 -0.436 . . . . 2.29 110.325 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 3.4 mm? -63.22 -35.9 81.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.6499999999999999 110.132 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.642 HD11 ' HB3' ' A' ' 19' ' ' MET . 13.0 mt -57.52 -48.4 83.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.994 -0.548 . . . . 1.27 110.727 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 62.8 mm-40 -58.89 -43.92 91.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 1.4399999999999999 111.156 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -69.35 -31.57 70.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 2.8399999999999999 111.572 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.32 -23.83 46.27 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.818 -0.706 . . . . 0.82999999999999996 113.728 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 22.3 ptmt -77.48 -34.6 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.248 0.524 . . . . 1.8200000000000001 111.613 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.1 -14.04 56.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.538 -0.301 . . . . 1.8899999999999999 111.415 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.8 mm -114.04 136.94 48.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 1.28 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -78.33 145.69 35.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 2.5800000000000001 109.988 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.577 ' O ' ' HB2' ' A' ' 8' ' ' GLN . . . -95.61 171.97 29.59 Favored Glycine 0 C--O 1.223 -0.589 0 C-N-CA 120.308 -0.948 . . . . 0.48999999999999999 111.306 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 t -134.96 132.2 53.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 117.336 0.568 . . . . 0.80000000000000004 110.969 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 t -136.35 140.25 43.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.546 . . . . 1.3999999999999999 110.869 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -135.32 126.73 28.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.087 -0.506 . . . . 2.1600000000000001 110.124 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mt -112.54 119.49 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 1.1599999999999999 111.791 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.24 114.24 45.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 0.52000000000000002 109.93 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -98.99 115.69 29.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.102 0.477 . . . . 1.3100000000000001 111.45 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -137.51 101.44 4.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 2.5299999999999998 110.515 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.85 -117.73 8.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.718 -0.753 . . . . 1.77 112.375 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -105.8 -12.23 15.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.306 . . . . 3.1499999999999999 110.933 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -100.86 130.61 46.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.931 0.396 . . . . 2.71 110.948 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.99 126.36 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 1.3600000000000001 111.094 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -94.43 123.89 38.12 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.261 -0.427 . . . . 2.54 110.598 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.5 tp -114.63 123.8 50.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 1.6899999999999999 110.913 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 62.7 m -125.33 126.96 45.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.63 111.266 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.65 129.03 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 1.76 110.243 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.4 m -118.92 130.3 55.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.029 0.442 . . . . 1.0 111.9 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -121.47 109.18 14.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.736 -0.665 . . . . 4.1799999999999997 110.378 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.68 -82.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.674 -0.774 . . . . 2.0 112.31 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 t -142.69 16.22 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 2.2000000000000002 111.324 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.456 ' HE3' HD11 ' A' ' 59' ' ' ILE . 42.7 tttp -108.19 127.84 54.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 2.5099999999999998 110.792 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.8 t -99.3 126.32 52.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 1.3799999999999999 110.97 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.456 HD11 ' HE3' ' A' ' 57' ' ' LYS . 49.6 mm -113.85 116.23 52.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.985 -0.552 . . . . 1.6000000000000001 110.565 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -116.42 135.44 53.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.316 -0.402 . . . . 2.7400000000000002 111.229 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -148.28 161.64 41.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.83 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -144.96 139.0 27.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.242 -0.435 . . . . 2.0099999999999998 110.669 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -148.44 151.4 35.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.958 0.409 . . . . 1.6599999999999999 111.731 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.0 m -99.76 131.15 45.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.814 -0.63 . . . . 0.62 110.831 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.12 119.25 16.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 1.5700000000000001 110.97 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.76 -10.66 62.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.874 -0.679 . . . . 0.80000000000000004 112.679 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -123.19 157.83 32.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 2.6600000000000001 110.961 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 36.4 tt0 -86.84 119.2 26.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 1.3200000000000001 110.619 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.5 t -111.58 157.21 20.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 1.8600000000000001 110.609 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' C ' HD22 ' A' ' 71' ' ' LEU . 34.7 tt0 -98.49 120.55 39.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 1.71 110.876 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 71' ' ' LEU . 3.3 mm? -116.46 134.16 55.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.136 0.493 . . . . 1.9099999999999999 110.953 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 78' ' ' LYS . 6.1 tt0 -85.66 124.28 32.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.717 -0.674 . . . . 2.1099999999999999 110.483 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -73.47 170.87 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.76 111.257 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.0 ttt -60.87 -32.2 71.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 3.79 110.895 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.0 p -62.55 -45.58 92.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 2.23 111.084 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.84 -13.42 4.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.988 -0.625 . . . . 1.47 111.896 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -89.28 124.99 34.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.785 0.326 . . . . 1.9399999999999999 110.759 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -84.79 141.29 30.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.126 -0.488 . . . . 2.9399999999999999 111.363 179.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.3 m -129.87 159.86 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 1.0600000000000001 111.033 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -94.38 128.79 41.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 3.1299999999999999 111.09 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -144.71 141.89 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.853 -0.612 . . . . 0.68999999999999995 110.892 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 5.3 p -114.02 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.085 0.469 . . . . 1.3999999999999999 111.219 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.23 122.88 64.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.77 -0.65 . . . . 1.26 110.619 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -130.17 151.71 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 2.1099999999999999 111.01 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.28 143.39 26.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 2.6200000000000001 110.359 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -101.33 -21.08 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 2.0600000000000001 111.191 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.24 -103.7 0.34 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.383 -0.913 . . . . 1.6200000000000001 113.657 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 17.2 t70 -106.47 121.35 44.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 2.8399999999999999 111.684 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.592 ' HB3' HD21 ' A' ' 105' ' ' ASN . 0.3 OUTLIER 57.94 13.82 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.984 -0.553 . . . . 2.2200000000000002 112.311 178.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 12.8 mmtt -135.16 126.04 27.5 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.278 -0.569 . . . . 2.0499999999999998 112.445 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 43.4 mtt -141.78 131.4 24.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.452 -0.794 . . . . 1.96 110.204 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.4 p -114.23 119.6 61.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.199 0.524 . . . . 1.46 112.052 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 100' ' ' SER . 2.8 t -133.99 126.79 30.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.654 -0.703 . . . . 0.52000000000000002 110.38 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.6 m -125.61 137.21 53.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.838 0.351 . . . . 1.23 111.713 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -138.71 129.31 26.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.042 -0.526 . . . . 0.95999999999999996 110.919 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 60.66 -87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.044 -0.525 . . . . 2.52 111.341 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.88 21.82 0.9 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.787 -0.72 . . . . 0.82999999999999996 112.482 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 93.8 mt -110.14 138.73 36.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.687 0.279 . . . . 1.45 110.683 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -95.62 118.68 32.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 2.71 110.734 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.574 ' HB3' HG23 ' A' ' 93' ' ' THR . 44.7 t -121.47 120.43 34.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.1 -0.5 . . . . 1.23 110.906 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 52.4 t -123.83 122.3 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.58999999999999997 110.448 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.8 m -114.49 129.98 56.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.58999999999999997 111.655 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 21.7 tt0 -96.01 120.74 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.944 -0.762 . . . . 2.1000000000000001 108.944 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.588 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -98.47 115.76 29.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.269 0.84 . . . . 0.82999999999999996 113.269 -177.448 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.592 HD21 ' HB3' ' A' ' 89' ' ' ASN . 9.7 m120 -126.2 153.11 45.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.404 -0.816 . . . . 1.72 109.774 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.98 20.42 6.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.325 -0.94 . . . . 1.4399999999999999 112.555 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -148.79 -34.98 0.2 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.625 0.231 . . . . 2.5499999999999998 111.625 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 66.8 m -140.89 126.05 18.46 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.943 0.402 . . . . 1.53 111.514 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.532 HD13 ' H ' ' A' ' 105' ' ' ASN . 40.9 mm -108.27 121.66 61.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.064 -0.516 . . . . 1.54 110.993 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.5 m -115.32 137.89 51.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.44 111.484 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 121' ' ' LYS . 29.2 m-80 -120.95 135.69 55.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 1.95 110.43 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 100' ' ' SER . 3.7 m -120.1 116.54 25.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.56999999999999995 111.614 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.555 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 57.6 mtt -124.82 120.43 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 1.51 109.93 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 45.5 m -120.53 120.9 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.56000000000000005 111.814 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 115' ' ' LEU . 1.5 pt? -145.18 116.08 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.696 -0.683 . . . . 1.8500000000000001 110.453 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 70.16 45.38 56.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.64 -0.79 . . . . 1.8 112.53 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.5 t70 66.31 3.58 2.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.64 0.257 . . . . 2.23 111.615 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 21.3 mt -87.28 137.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.82999999999999996 111.139 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.3 t -109.28 117.7 55.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 1.3500000000000001 111.298 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.555 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 31.1 t80 -113.26 119.23 37.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 1.6699999999999999 110.091 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.47 ' HB3' ' HG2' ' A' ' 13' ' ' GLU . 40.8 ttmt -129.09 123.48 32.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 2.0499999999999998 111.209 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -106.05 122.95 47.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 2.3199999999999998 110.897 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.2 t -106.21 118.82 54.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.40999999999999998 110.537 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.9 p -127.4 147.32 50.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.203 -0.453 . . . . 1.1399999999999999 110.603 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.58 ' H ' ' NE2' ' A' ' 8' ' ' GLN . 24.0 mtpp -106.23 148.63 27.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.351 . . . . 2.04 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -86.98 119.66 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.381 -0.372 . . . . 3.0899999999999999 110.251 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 8.6 pt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 1.3100000000000001 111.151 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.536 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 38.6 t . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 121.013 0.435 . . . . 1.53 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.28 166.19 14.3 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.724 -0.671 . . . . 0.54000000000000004 112.134 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HG2' ' HG2' ' A' ' 40' ' ' GLU . 12.7 tmtt? -99.87 131.86 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 2.3799999999999999 110.475 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.61 150.14 50.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 1.1299999999999999 110.142 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.561 HE22 HG22 ' A' ' 38' ' ' VAL . 5.7 tp60 -118.55 114.58 23.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.901 0.334 . . . . 1.3899999999999999 111.901 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 122' ' ' ARG . 49.0 t -69.54 117.4 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.478 -0.564 . . . . 1.24 109.478 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' NE2' ' HE3' ' A' ' 125' ' ' LYS . 84.5 mt-30 -89.43 -63.07 1.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.882 0.327 . . . . 2.2000000000000002 111.882 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -147.18 168.19 22.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.371 . . . . 1.72 111.439 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.553 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 13.7 tm0? -145.28 134.57 22.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.955 -0.566 . . . . 2.0099999999999998 110.724 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 12.9 pt-20 -106.06 151.62 24.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 2.3900000000000001 110.722 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.757 HD22 HG22 ' A' ' 118' ' ' ILE . 0.7 OUTLIER 92.24 18.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.108 0.88 . . . . 1.8799999999999999 111.35 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.52 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.6 OUTLIER -64.69 -49.24 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.431 -0.349 . . . . 3.2599999999999998 111.845 -179.591 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 19' ' ' MET . 46.8 mt-10 -54.76 -50.71 84.34 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.271 0.471 . . . . 1.96 112.271 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 55.9 Cg_endo -71.81 -40.48 2.7 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 121.917 1.745 . . . . 0.71999999999999997 113.178 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -64.37 -41.04 96.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.774 0.321 . . . . 1.46 111.48 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.736 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.74 -37.92 89.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 4.4800000000000004 111.468 -179.512 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -70.52 -43.92 68.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.779 0.324 . . . . 2.27 110.785 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -69.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.84999999999999998 111.647 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.0 tpp -51.91 -47.48 64.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.701 -0.681 . . . . 2.0499999999999998 111.759 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.03 6.07 3.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.232 -0.985 . . . . 0.96999999999999997 112.737 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.736 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 26.0 tp -74.77 144.13 79.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.242 -0.651 . . . . 1.45 109.242 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.598 ' HG2' HD13 ' A' ' 28' ' ' LEU . 3.8 Cg_endo -95.28 136.77 0.73 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.341 2.694 . . . . 0.93999999999999995 112.11 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.486 ' HG2' HE22 ' A' ' 30' ' ' GLN . 2.6 mt-10 -51.53 -30.67 21.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 1.99 110.673 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -54.38 -43.91 71.8 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.291 -0.633 . . . . 2.29 109.291 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.0 mp -69.69 -35.24 74.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.413 -0.812 . . . . 1.6499999999999999 110.06 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 19' ' ' MET . 38.0 mt -58.3 -48.72 84.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-N 115.943 -0.571 . . . . 1.27 111.493 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.486 HE22 ' HG2' ' A' ' 26' ' ' GLU . 1.7 mp0 -63.26 -41.32 99.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 1.4399999999999999 111.41 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -69.5 -31.52 69.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.434 -0.348 . . . . 2.8399999999999999 111.157 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.32 -37.4 24.52 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 121.033 -0.603 . . . . 0.82999999999999996 113.625 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -62.38 -25.66 68.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.075 0.437 . . . . 1.8200000000000001 111.061 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -89.89 -25.22 21.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.412 -0.358 . . . . 1.8899999999999999 110.868 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.7 mm -102.43 116.67 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 1.28 111.221 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -80.28 107.47 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.394 . . . . 2.5800000000000001 110.593 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.41 164.59 6.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.879 -0.677 . . . . 0.48999999999999999 112.758 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.561 HG22 HE22 ' A' ' 8' ' ' GLN . 12.1 t -122.0 138.91 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 0.80000000000000004 110.469 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m -127.16 123.42 36.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.039 0.447 . . . . 1.3999999999999999 111.495 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' A' ' 6' ' ' LYS . 37.5 mt-10 -134.21 124.73 26.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.69 -0.686 . . . . 2.1600000000000001 109.659 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.409 HG12 ' HG ' ' A' ' 50' ' ' LEU . 7.3 mt -125.85 127.5 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 1.1599999999999999 111.912 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 t -106.98 114.79 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.52000000000000002 110.046 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.536 ' H ' ' HB2' ' A' ' 4' ' ' SER . 7.4 t60 -105.49 116.86 32.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.906 0.384 . . . . 1.3100000000000001 111.142 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -137.71 101.74 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.935 -0.575 . . . . 2.5299999999999998 110.508 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.56 -100.01 0.51 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.799 -0.715 . . . . 1.77 112.285 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -120.68 -13.07 8.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.83 0.348 . . . . 3.1499999999999999 110.67 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -93.45 114.3 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 2.71 110.667 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.3 t -120.72 124.37 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 1.3600000000000001 111.383 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -101.49 130.08 47.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.54 . . . . 2.54 110.673 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HG ' HG12 ' A' ' 41' ' ' ILE . 5.0 tt -120.81 121.55 38.39 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.936 -0.394 . . . . 1.6899999999999999 109.936 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.8 m -127.58 126.71 42.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.63 111.708 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.0 mm -108.7 123.16 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 1.76 109.696 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.487 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 57.7 m -103.6 130.57 51.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 1.0 111.655 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.483 ' C ' ' H ' ' A' ' 56' ' ' SER . 57.7 t80 -120.77 156.67 31.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.463 -0.789 . . . . 4.1799999999999997 109.686 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.54 22.33 0.3 Allowed Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.661 -0.78 . . . . 2.0 113.109 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 54' ' ' TYR . 48.0 t -157.4 -45.41 0.07 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.912 0.356 . . . . 2.2000000000000002 111.515 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -130.13 133.16 46.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.149 0.5 . . . . 2.5099999999999998 112.212 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.33 139.26 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.724 -0.671 . . . . 1.3799999999999999 110.395 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.0 mt -123.57 124.6 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.963 0.411 . . . . 1.6000000000000001 111.66 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -116.88 139.75 50.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.94 -0.573 . . . . 2.7400000000000002 110.508 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -138.62 162.1 35.46 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.088 0.47 . . . . 1.79 111.567 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -143.88 126.81 16.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.774 -0.648 . . . . 2.0099999999999998 110.442 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -149.41 151.36 33.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 1.6599999999999999 111.463 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.9 m -113.33 129.14 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.747 -0.66 . . . . 0.62 110.594 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.16 135.72 25.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 1.5700000000000001 111.079 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.53 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 61.34 53.34 45.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.80000000000000004 112.404 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -163.72 144.27 8.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.893 0.377 . . . . 2.6600000000000001 111.205 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -82.68 122.53 28.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.55 . . . . 1.3200000000000001 110.359 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 79.9 m -123.48 152.25 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.364 . . . . 1.8600000000000001 111.112 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -98.52 120.38 38.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 1.71 110.833 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.5 tp -120.25 145.91 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.9099999999999999 110.9 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -85.45 123.79 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 2.1099999999999999 110.997 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 p -83.58 166.08 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 1.76 111.027 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -69.38 -12.73 61.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 3.79 110.815 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -81.47 -30.64 33.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 2.23 110.844 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.36 8.55 23.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.951 -0.642 . . . . 1.47 112.344 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -107.91 143.09 37.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.867 0.365 . . . . 1.9399999999999999 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -85.24 125.14 32.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 2.9399999999999999 111.046 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.11 146.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 1.0600000000000001 111.044 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -105.01 135.72 45.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 3.1299999999999999 110.799 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.57 142.52 28.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.266 -0.425 . . . . 0.68999999999999995 111.677 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 t -97.6 121.78 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.854 -0.612 . . . . 1.3999999999999999 110.585 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 p -106.24 120.51 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.26 111.252 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.53 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 33.7 mtmm -134.81 152.09 51.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.066 -0.516 . . . . 2.1099999999999999 110.999 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.66 141.19 34.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 2.6200000000000001 110.64 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' H ' ' HA ' ' A' ' 91' ' ' MET . 11.3 tp10 -89.58 -20.63 23.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 2.0600000000000001 110.844 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.51 -104.79 0.55 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.583 -0.818 . . . . 1.6200000000000001 113.468 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -96.62 126.99 42.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.389 . . . . 2.8399999999999999 111.617 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 2.4 p-10 49.67 12.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.101 -0.954 . . . . 2.2200000000000002 112.714 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -137.84 128.96 27.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.17 0.509 . . . . 2.0499999999999998 112.163 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.422 ' HA ' ' H ' ' A' ' 86' ' ' GLU . 58.4 mtt -141.76 133.02 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.26 -0.882 . . . . 1.96 109.504 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.12 119.04 59.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.888 0.699 . . . . 1.46 112.888 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.524 HG23 ' HB3' ' A' ' 100' ' ' SER . 2.3 t -134.15 127.2 31.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.309 -0.86 . . . . 0.52000000000000002 109.77 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.9 m -120.73 128.9 53.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.01 0.433 . . . . 1.23 112.054 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.459 ' HE1' ' HB2' ' A' ' 100' ' ' SER . 32.4 p90 -138.32 127.04 23.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.703 -0.68 . . . . 0.95999999999999996 110.197 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 52.54 -155.23 0.18 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.503 -0.317 . . . . 2.52 110.533 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.0 28.26 3.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.657 -0.783 . . . . 0.82999999999999996 112.54 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.457 HG13 HD13 ' A' ' 115' ' ' LEU . 4.7 mp -121.51 137.95 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.698 0.285 . . . . 1.45 110.978 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -97.17 127.25 42.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.328 -0.396 . . . . 2.71 110.717 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.524 ' HB3' HG23 ' A' ' 93' ' ' THR . 46.2 t -121.76 121.06 36.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 1.23 111.127 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.81 122.11 56.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.58999999999999997 110.262 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 88.5 m -114.42 131.2 56.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.58999999999999997 111.758 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -96.25 127.27 42.11 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.175 -0.676 . . . . 2.1000000000000001 109.175 178.574 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.11 116.55 31.75 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.874 0.694 . . . . 0.82999999999999996 112.874 -178.222 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.442 ' HA ' HD22 ' A' ' 105' ' ' ASN . 6.6 m120 -125.08 153.82 42.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.666 -0.697 . . . . 1.72 109.964 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.48 30.57 0.85 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.641 -0.79 . . . . 1.4399999999999999 113.02 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 105' ' ' ASN . 4.0 p30 -169.23 -20.38 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.905 0.352 . . . . 2.5499999999999998 111.711 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -140.95 145.23 35.76 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.258 0.466 . . . . 1.53 112.258 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.4 mm -132.48 120.54 42.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.813 -0.631 . . . . 1.54 110.839 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.1 m -116.19 137.17 52.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.23 -0.441 . . . . 0.44 111.577 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.507 ' HB3' ' HB3' ' A' ' 122' ' ' ARG . 2.8 t-20 -113.3 131.84 55.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.326 -0.397 . . . . 1.95 110.379 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 100' ' ' SER . 4.4 m -120.4 116.76 26.12 Favored 'General case' 0 N--CA 1.461 0.081 0 N-CA-C 112.551 0.575 . . . . 0.56999999999999995 112.551 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.515 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 65.8 mtm -125.44 120.84 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 1.51 109.691 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.0 m -121.62 125.1 45.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.56000000000000005 111.952 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.457 HD13 HG13 ' A' ' 98' ' ' ILE . 50.2 tp -135.16 115.54 13.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.953 -0.567 . . . . 1.8500000000000001 110.424 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.28 -73.97 2.28 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.737 -0.744 . . . . 1.8 112.304 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -164.23 16.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.067 0.46 . . . . 2.23 110.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.757 HG22 HD22 ' A' ' 14' ' ' ASN . 3.5 mt -105.22 137.54 34.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.935 -0.575 . . . . 0.82999999999999996 111.085 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.7 t -108.94 117.43 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.102 0.477 . . . . 1.3500000000000001 111.607 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.515 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 29.1 t80 -101.86 119.8 39.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.405 -0.816 . . . . 1.6699999999999999 110.071 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.553 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 53.5 mtmt -128.04 124.36 36.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.536 -0.302 . . . . 2.0499999999999998 111.741 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 23.4 ttm180 -105.74 124.74 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 2.3199999999999998 110.368 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 40.3 t -103.29 120.32 53.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.40999999999999998 110.819 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 49.7 m -133.23 139.43 46.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 1.1399999999999999 111.252 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.455 ' HE3' ' NE2' ' A' ' 10' ' ' GLN . 13.8 ptpt -106.91 141.1 38.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.061 -0.518 . . . . 2.04 110.814 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -79.71 122.79 27.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 3.0899999999999999 110.667 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 42.0 pt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.3100000000000001 111.202 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.428 ' OG ' ' HB3' ' A' ' 43' ' ' HIS . 26.8 m . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.704 0.288 . . . . 1.53 110.518 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.22 169.82 24.96 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.9 -0.667 . . . . 0.54000000000000004 112.945 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmmm? -105.11 126.51 52.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.841 0.353 . . . . 2.3799999999999999 110.661 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.422 ' HB3' ' HB3' ' A' ' 124' ' ' SER . 31.0 m-85 -113.35 150.75 32.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 1.1299999999999999 110.962 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.644 HE22 HG22 ' A' ' 38' ' ' VAL . 7.6 tp-100 -122.27 126.07 47.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 1.3899999999999999 111.251 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.611 HG22 ' HD2' ' A' ' 122' ' ' ARG . 41.2 t -69.53 143.53 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 1.24 110.052 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -113.93 -41.64 3.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.573 -0.285 . . . . 2.2000000000000002 111.766 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -169.62 168.78 9.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.989 0.423 . . . . 1.72 111.442 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.523 HE22 ' HA ' ' A' ' 120' ' ' TYR . 37.8 tp60 -144.61 133.62 22.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.91 -0.587 . . . . 2.0099999999999998 110.845 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -98.38 139.55 33.98 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.441 -0.345 . . . . 2.3900000000000001 110.774 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 58.94 94.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.483 -0.326 . . . . 1.8799999999999999 110.88 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.83 -40.03 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.489 -0.323 . . . . 3.2599999999999998 111.101 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 13.9 mm-40 -52.67 -48.45 90.65 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 112.443 0.534 . . . . 1.96 112.443 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 43.9 Cg_endo -68.75 -40.23 7.5 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 121.651 1.567 . . . . 0.71999999999999997 112.461 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.48 -50.89 65.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 1.46 111.463 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.666 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.94 -38.47 76.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.385 -0.371 . . . . 4.4800000000000004 111.454 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 70.5 mttt -65.5 -40.87 93.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.378 . . . . 2.27 110.774 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.74 -12.87 61.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.84999999999999998 111.145 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.2 tpp -104.74 -75.56 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 2.0499999999999998 110.828 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 8.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.971 -0.633 . . . . 0.96999999999999997 112.188 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.709 HD11 HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -83.11 118.27 71.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 110.481 -0.192 . . . . 1.45 110.481 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.61 ' HD2' HD13 ' A' ' 24' ' ' LEU . 42.3 Cg_endo -66.46 133.27 31.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.361 2.04 . . . . 0.93999999999999995 112.3 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -50.79 -31.19 16.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.846 -0.616 . . . . 1.99 112.117 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' ' 25' ' ' PRO . 1.9 p30 -62.99 -42.19 99.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.656 0.265 . . . . 2.29 111.219 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.709 HD22 HD11 ' A' ' 24' ' ' LEU . 8.1 tt -68.27 -39.28 82.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.367 . . . . 1.6499999999999999 111.244 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 25' ' ' PRO . 2.8 mp -60.15 -41.23 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.455 -0.339 . . . . 1.27 111.563 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 29.5 mm-40 -53.85 -47.03 71.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 1.4399999999999999 110.931 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.1 -31.98 71.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 2.8399999999999999 110.71 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.28 -53.65 20.63 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.992 -0.623 . . . . 0.82999999999999996 113.225 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -56.16 -31.35 63.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 1.8200000000000001 111.389 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -66.2 -26.8 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.8899999999999999 110.832 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.5 mt -113.18 117.01 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 1.28 111.175 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.36 125.34 23.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 2.5800000000000001 110.712 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.41 155.14 52.88 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.005 -0.617 . . . . 0.48999999999999999 112.7 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.644 HG22 HE22 ' A' ' 8' ' ' GLN . 3.9 t -122.27 133.5 68.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.31 -0.256 . . . . 0.80000000000000004 110.31 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -135.09 144.98 47.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.961 0.41 . . . . 1.3999999999999999 111.799 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -134.8 141.78 46.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 2.1600000000000001 110.078 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 4' ' ' SER . 28.0 mm -122.21 117.71 53.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.828 0.347 . . . . 1.1599999999999999 111.771 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 85.1 t -109.7 114.55 47.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.52000000000000002 110.418 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.428 ' HB3' ' OG ' ' A' ' 4' ' ' SER . 20.7 t-80 -105.06 115.7 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 1.3100000000000001 110.956 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -138.4 106.33 5.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.07 -0.514 . . . . 2.5299999999999998 111.529 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 50.52 62.25 5.32 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.14 -0.552 . . . . 1.77 113.488 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 68.31 -17.56 0.17 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.321 0.489 . . . . 3.1499999999999999 112.321 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 45' ' ' GLY . 56.3 mtpt -91.54 108.25 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 2.71 110.508 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 61.0 t -109.19 127.49 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 1.3600000000000001 111.298 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HG2' ' HB3' ' A' ' 62' ' ' GLU . 97.0 mttt -103.03 137.88 40.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 2.54 110.941 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.0 tp -111.09 123.86 51.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 1.6899999999999999 110.738 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.0 m -123.28 126.21 46.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.878 0.371 . . . . 0.63 111.024 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mt -131.4 130.39 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 1.76 110.736 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -120.02 129.9 54.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.368 . . . . 1.0 111.548 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -121.66 109.02 14.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.926 -0.579 . . . . 4.1799999999999997 110.62 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.94 -85.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.565 -0.826 . . . . 2.0 112.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.1 p -136.37 13.84 3.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.567 0.222 . . . . 2.2000000000000002 111.326 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' HD3' HD11 ' A' ' 59' ' ' ILE . 38.1 ttmt -109.54 121.57 45.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 2.5099999999999998 111.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.12 126.69 52.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.103 0.478 . . . . 1.3799999999999999 110.709 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.447 HD11 ' HD3' ' A' ' 57' ' ' LYS . 50.7 mm -115.57 116.38 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 1.6000000000000001 110.659 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -116.95 130.05 56.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.171 -0.468 . . . . 2.7400000000000002 111.534 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -138.82 161.13 38.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 1.79 110.529 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 10.2 pt-20 -143.53 140.54 30.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 2.0099999999999998 111.054 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -148.7 145.19 27.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 1.6599999999999999 111.419 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.501 ' HB ' ' HB2' ' A' ' 67' ' ' GLU . 53.6 m -104.68 131.12 52.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.898 -0.592 . . . . 0.62 110.853 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD13 ' HG2' ' A' ' 85' ' ' MET . 97.9 mt -55.57 139.46 44.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 1.5700000000000001 111.11 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.516 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 56.76 27.84 56.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.025 -0.607 . . . . 0.80000000000000004 112.695 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 11.3 mm-40 -141.65 138.15 32.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.946 0.403 . . . . 2.6600000000000001 110.979 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 41.3 tt0 -86.6 120.5 27.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 1.3200000000000001 110.496 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.9 t -115.92 157.27 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 1.8600000000000001 111.137 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.21 122.41 39.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 1.71 110.566 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tt -117.7 143.69 45.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 1.9099999999999999 110.941 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -86.33 121.88 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 2.1099999999999999 110.718 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 74' ' ' MET . 1.5 m -87.47 164.68 16.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 1.76 111.126 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.407 ' H ' HG22 ' A' ' 73' ' ' THR . 51.2 ttm -69.25 -24.62 64.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 3.79 110.674 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -66.04 -13.22 59.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.895 -0.593 . . . . 2.23 111.249 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.34 -20.44 46.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.823 -0.703 . . . . 1.47 112.263 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -96.44 145.61 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.333 . . . . 1.9399999999999999 111.07 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -84.7 141.37 30.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 2.9399999999999999 111.416 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.76 134.07 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 1.0600000000000001 111.013 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -90.79 136.72 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.978 0.418 . . . . 3.1299999999999999 111.184 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.44 142.52 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.68999999999999995 111.57 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 6.8 p -110.32 123.4 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 1.3999999999999999 110.591 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.495 HG23 ' HB ' ' A' ' 93' ' ' THR . 7.2 p -108.65 133.27 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 1.26 110.908 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.516 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 70.0 mttt -131.91 152.09 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 2.1099999999999999 110.939 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.585 ' HG2' HD13 ' A' ' 65' ' ' LEU . 4.9 ppp? -106.34 142.25 36.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 2.6200000000000001 111.104 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -102.29 -11.88 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.918 -0.583 . . . . 2.0600000000000001 110.357 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.92 -127.68 5.24 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.589 -0.732 . . . . 1.6200000000000001 112.64 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 14.2 m-20 -101.04 128.39 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.881 0.372 . . . . 2.8399999999999999 110.906 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 1.5 m-20 79.6 -7.71 1.67 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.046 -0.979 . . . . 2.2200000000000002 112.51 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 128.76 39.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.579 0.585 . . . . 2.0499999999999998 112.579 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.1 mmt -141.62 136.97 31.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.266 -0.879 . . . . 1.96 109.86 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.4 p -129.72 121.41 52.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.223 0.535 . . . . 1.46 112.013 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 100' ' ' SER . 4.6 t -133.36 135.68 44.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.625 -0.716 . . . . 0.52000000000000002 110.386 179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.8 p -125.21 129.17 49.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.864 0.364 . . . . 1.23 111.652 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -138.79 127.5 23.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.95999999999999996 110.915 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? 61.85 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 2.52 111.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -157.7 8.78 0.21 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.691 -0.766 . . . . 0.82999999999999996 112.554 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.578 HG12 HD13 ' A' ' 115' ' ' LEU . 79.2 mt -101.01 137.8 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.746 0.308 . . . . 1.45 111.064 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -97.84 121.63 39.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 2.71 110.701 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.561 ' HB2' HG23 ' A' ' 93' ' ' THR . 68.9 m -120.36 120.51 36.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 1.23 110.773 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 56.0 t -121.13 122.55 67.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.58999999999999997 110.341 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 m -114.24 130.57 56.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.1 -0.5 . . . . 0.58999999999999997 111.71 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 41.4 tt0 -96.32 121.81 38.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.813 -0.63 . . . . 2.1000000000000001 109.332 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -101.4 116.11 32.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.18 0.514 . . . . 0.82999999999999996 112.126 -178.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 108' ' ' THR . 9.7 m120 -125.69 154.16 42.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.634 -0.712 . . . . 1.72 110.027 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.43 36.77 1.79 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.389 -0.91 . . . . 1.4399999999999999 112.858 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -171.33 -36.82 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 111.972 0.36 . . . . 2.5499999999999998 111.972 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 62.8 m -140.7 127.07 19.89 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.37 0.507 . . . . 1.53 112.37 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 108' ' ' THR . 1.7 mp -112.41 129.57 67.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.114 -0.494 . . . . 1.54 110.809 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 89.8 m -115.28 140.03 49.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.44 111.322 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.612 HD21 ' HG3' ' A' ' 113' ' ' MET . 8.4 t30 -114.03 132.34 56.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 1.95 110.573 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 100' ' ' SER . 1.6 m -118.98 117.13 27.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.818 0.342 . . . . 0.56999999999999995 111.758 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.612 ' HG3' HD21 ' A' ' 111' ' ' ASN . 61.6 mtt -124.64 121.31 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 1.51 110.212 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.5 m -119.5 121.97 40.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.56000000000000005 111.911 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.578 HD13 HG12 ' A' ' 98' ' ' ILE . 62.6 tp -143.78 115.44 8.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 1.8500000000000001 110.504 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.14 45.24 72.68 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.811 -0.709 . . . . 1.8 112.558 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 65.02 5.89 3.18 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.551 0.215 . . . . 2.23 111.526 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.6 mt -90.16 136.25 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.705 0.288 . . . . 0.82999999999999996 110.737 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -101.08 136.88 30.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.217 0.532 . . . . 1.3500000000000001 111.857 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.523 ' HA ' HE22 ' A' ' 12' ' ' GLN . 31.5 t80 -132.44 119.29 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.512 -0.767 . . . . 1.6699999999999999 109.833 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.459 ' H ' HE22 ' A' ' 12' ' ' GLN . 39.1 ttpt -128.94 122.91 31.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.731 0.301 . . . . 2.0499999999999998 111.383 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.611 ' HD2' HG22 ' A' ' 9' ' ' VAL . 42.8 ttp180 -103.04 132.65 49.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 2.3199999999999998 110.693 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.4 t -102.46 119.12 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.40999999999999998 110.296 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 13.8 m -133.02 141.75 48.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 1.1399999999999999 111.371 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 149.07 41.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.862 -0.608 . . . . 2.04 110.708 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -82.16 129.09 34.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 3.0899999999999999 110.886 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.4 pt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 1.3100000000000001 111.104 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.843 0.354 . . . . 1.53 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.71 145.15 4.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.54000000000000004 112.651 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -94.25 139.16 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 2.3799999999999999 111.039 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -128.31 150.28 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.608 . . . . 1.1299999999999999 110.555 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.595 HE21 ' HA ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -118.13 123.66 46.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.323 . . . . 1.3899999999999999 111.622 -179.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -71.56 133.77 31.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 116.246 -0.434 . . . . 1.24 110.358 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.665 HE21 ' HB2' ' A' ' 125' ' ' LYS . 73.8 mt-30 -106.47 -37.91 6.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.908 0.336 . . . . 2.2000000000000002 111.908 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 t -156.51 167.65 29.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.041 0.448 . . . . 1.72 111.74 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.543 HE22 ' HA ' ' A' ' 120' ' ' TYR . 14.5 tm0? -145.85 154.98 42.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.675 -0.693 . . . . 2.0099999999999998 110.342 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 42.1 mt-10 -113.78 136.88 52.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.67 0.271 . . . . 2.3900000000000001 111.325 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 93.8 m-20 66.52 120.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.032 -0.531 . . . . 1.8799999999999999 111.301 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' HB3' HD13 ' A' ' 29' ' ' ILE . 17.4 m-85 -130.07 -61.97 0.96 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.248 -0.433 . . . . 3.2599999999999998 111.461 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.564 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . 45.2 mt-10 -48.28 -47.45 67.31 Favored Pre-proline 0 N--CA 1.463 0.225 0 CA-C-N 116.043 -0.526 . . . . 1.96 111.897 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 32.5 Cg_exo -58.11 -40.75 74.28 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 121.662 1.575 . . . . 0.71999999999999997 112.192 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.7 -52.48 60.36 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.147 0.425 . . . . 1.46 112.147 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.706 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -59.73 -37.44 78.93 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.648 0.261 . . . . 4.4800000000000004 111.499 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 92.5 mttt -70.05 -45.2 67.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.587 -0.279 . . . . 2.27 111.533 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.09 -75.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.977 0.418 . . . . 0.84999999999999998 111.867 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.5 tpp -47.23 -36.93 9.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.585 -0.734 . . . . 2.0499999999999998 112.015 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.87 10.18 21.44 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.528 -0.844 . . . . 0.96999999999999997 112.143 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.706 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 24.0 tp -74.26 149.56 86.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 108.747 -0.835 . . . . 1.45 108.747 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.539 ' HB2' HD13 ' A' ' 28' ' ' LEU . 3.1 Cg_exo -82.45 125.91 4.6 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.723 2.282 . . . . 0.93999999999999995 112.519 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HB3' ' SD ' ' A' ' 19' ' ' MET . 13.3 pt-20 -52.78 -33.37 48.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.052 -0.522 . . . . 1.99 111.187 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.37 -46.97 88.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.308 -0.406 . . . . 2.29 110.296 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 25' ' ' PRO . 11.3 mp -63.7 -36.11 82.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.843 -0.617 . . . . 1.6499999999999999 110.417 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.659 HD12 ' HG2' ' A' ' 19' ' ' MET . 3.8 mt -57.62 -48.78 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 1.27 111.2 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' HA ' ' HD3' ' A' ' 33' ' ' LYS . 80.7 mm-40 -60.34 -42.91 96.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.022 -0.535 . . . . 1.4399999999999999 111.543 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -68.72 -31.73 71.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.474 -0.33 . . . . 2.8399999999999999 111.252 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.19 -33.42 32.5 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.891 -0.671 . . . . 0.82999999999999996 113.368 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.478 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 17.9 ptmt -77.29 -27.54 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 1.8200000000000001 111.427 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -73.88 -25.6 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.345 -0.389 . . . . 1.8899999999999999 111.116 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -113.04 124.28 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 1.28 111.28 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -60.73 110.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 2.5800000000000001 111.012 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.69 173.93 29.42 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.942 -0.647 . . . . 0.48999999999999999 112.576 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.477 HG12 ' HB ' ' A' ' 53' ' ' THR . 3.4 p -132.91 142.56 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.80000000000000004 111.158 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -135.88 122.97 21.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.3999999999999999 110.634 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -125.0 143.34 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.612 0.244 . . . . 2.1600000000000001 110.685 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.1 mt -127.0 119.61 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 1.1599999999999999 111.476 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.0 t -108.33 114.69 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.52000000000000002 110.476 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -103.57 114.93 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 1.3100000000000001 111.024 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -138.87 104.26 5.02 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.089 -0.505 . . . . 2.5299999999999998 111.564 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 50.19 60.65 6.48 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 121.191 -0.528 . . . . 1.77 113.53 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 69.16 -18.61 0.18 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.18 0.437 . . . . 3.1499999999999999 112.18 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 45' ' ' GLY . 5.1 mptp? -90.36 108.37 19.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 2.71 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 49.1 t -106.41 140.51 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 1.3600000000000001 111.797 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.499 ' HG2' ' HG2' ' A' ' 62' ' ' GLU . 36.0 mtmm -118.49 128.32 54.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.672 -0.695 . . . . 2.54 110.347 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -106.29 128.7 54.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 1.6899999999999999 111.075 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.419 ' N ' HD13 ' A' ' 50' ' ' LEU . 27.8 m -125.78 126.16 44.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.63 111.032 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.5 mt -131.44 136.87 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 1.76 110.701 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.477 ' HB ' HG12 ' A' ' 38' ' ' VAL . 62.5 m -118.22 130.13 55.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 1.0 111.417 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -121.53 108.98 14.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 4.1799999999999997 110.266 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.58 -83.82 0.2 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.738 -0.744 . . . . 2.0 112.382 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -142.76 18.28 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 2.2000000000000002 110.969 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -111.09 136.37 50.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 2.5099999999999998 110.965 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.91 126.29 59.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.051 -0.522 . . . . 1.3799999999999999 110.522 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.0 mt -119.21 115.95 49.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 1.6000000000000001 110.785 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -118.9 143.21 47.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 2.7400000000000002 111.545 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -149.14 149.82 31.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 1.79 110.676 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.499 ' HG2' ' HG2' ' A' ' 49' ' ' LYS . 38.1 mt-10 -125.46 134.61 52.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 2.0099999999999998 111.015 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.424 ' HA ' ' SG ' ' A' ' 69' ' ' CYS . 8.2 p90 -148.94 151.56 34.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 1.6599999999999999 111.325 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 m -107.62 131.15 54.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.62 111.034 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 65' ' ' LEU . 4.3 pp -58.95 158.48 8.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.033 -0.53 . . . . 1.5700000000000001 111.424 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.545 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 47.81 35.06 11.75 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.91 -0.586 . . . . 0.80000000000000004 112.985 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -161.91 142.9 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 2.6600000000000001 110.952 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.3 120.0 20.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 1.3200000000000001 110.702 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 63' ' ' PHE . 31.6 t -118.85 157.12 28.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.39 -0.368 . . . . 1.8600000000000001 110.651 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HG2' ' HE2' ' A' ' 78' ' ' LYS . 42.2 tt0 -107.84 120.56 42.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 1.71 111.184 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD23 ' H ' ' A' ' 71' ' ' LEU . 1.6 pt? -119.05 146.81 44.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 1.9099999999999999 110.863 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -84.55 131.39 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 2.1099999999999999 110.827 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.4 p -93.23 177.43 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 1.76 111.263 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.9 ptp -67.14 -26.96 66.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 3.79 110.791 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 p -79.1 -4.45 50.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 2.23 111.171 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.68 -14.16 56.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.569 -0.824 . . . . 1.47 112.189 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -75.46 140.31 42.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.809 0.338 . . . . 1.9399999999999999 110.76 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.52 ' HE2' ' HG2' ' A' ' 70' ' ' GLU . 14.4 mmmm -90.96 125.44 35.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 2.9399999999999999 111.075 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.7 m -121.87 147.38 25.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.43 . . . . 1.0600000000000001 111.172 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -106.5 136.58 46.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.282 -0.417 . . . . 3.1299999999999999 110.791 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.62 143.37 28.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.233 -0.44 . . . . 0.68999999999999995 111.696 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.3 t -99.6 115.09 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.3999999999999999 110.62 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.3 122.9 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.988 0.423 . . . . 1.26 111.171 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.545 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 22.6 mtpp -134.39 151.74 51.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.925 -0.58 . . . . 2.1099999999999999 110.565 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -94.29 137.71 33.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.3 -0.409 . . . . 2.6200000000000001 110.669 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -100.2 -12.13 19.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.041 0.448 . . . . 2.0600000000000001 110.676 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.29 109.3 2.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 1.6200000000000001 113.365 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.548 ' C ' ' H ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER 54.19 -134.44 1.59 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.251 0.548 . . . . 2.8399999999999999 111.11 179.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.629 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 8.8 p30 -45.6 0.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.615 -1.175 . . . . 2.2200000000000002 113.67 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 89' ' ' ASN . 69.8 mmtt -128.89 123.33 32.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 118.716 0.689 . . . . 2.0499999999999998 112.774 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.7 mtp -139.5 129.99 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.114 -0.948 . . . . 1.96 109.259 177.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.41 118.31 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.247 0.546 . . . . 1.46 112.464 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.435 HG23 ' OG ' ' A' ' 100' ' ' SER . 1.5 t -134.59 129.39 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.432 -0.803 . . . . 0.52000000000000002 110.038 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -124.38 128.55 49.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 1.23 112.124 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -136.21 123.31 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.671 -0.695 . . . . 0.95999999999999996 109.74 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp 55.13 -153.73 0.31 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 2.52 110.163 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.19 12.86 35.74 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.52 -0.847 . . . . 0.82999999999999996 112.651 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 115' ' ' LEU . 25.8 mm -102.9 133.06 47.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 1.45 111.042 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -100.05 121.59 41.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.454 -0.339 . . . . 2.71 110.585 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 112' ' ' THR . 27.9 p -121.5 120.86 36.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 1.23 111.327 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 71.0 t -125.28 122.82 63.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.841 -0.618 . . . . 0.58999999999999997 110.179 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.4 m -113.5 132.08 55.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.383 . . . . 0.58999999999999997 111.721 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.629 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 21.1 tt0 -99.58 120.22 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 2.1000000000000001 110.042 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.623 ' N ' ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -95.14 115.07 26.95 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 113.15 0.796 . . . . 0.82999999999999996 113.15 -178.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 108' ' ' THR . 0.9 OUTLIER -125.87 153.34 44.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.947 -1.024 . . . . 1.72 109.992 178.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.5 27.65 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.375 -0.917 . . . . 1.4399999999999999 112.521 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -151.19 -47.67 0.12 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 120.694 0.283 . . . . 2.5499999999999998 111.438 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 58.0 m -138.93 123.65 18.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.853 0.358 . . . . 1.53 111.448 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 109' ' ' ILE . 2.1 mp -102.68 124.19 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 1.54 110.755 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.4 m -115.58 139.67 49.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.328 -0.396 . . . . 0.44 111.71 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.641 ' HB3' ' HG2' ' A' ' 122' ' ' ARG . 6.7 t30 -119.51 139.52 51.97 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.464 -0.335 . . . . 1.95 110.596 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 100' ' ' SER . 0.6 OUTLIER -119.51 119.14 32.98 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.201 0.445 . . . . 0.56999999999999995 112.201 -179.194 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.575 ' HG3' HD21 ' A' ' 111' ' ' ASN . 67.1 mtt -124.12 120.5 32.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.545 . . . . 1.51 109.609 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.4 m -127.37 125.44 40.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.224 0.453 . . . . 0.56000000000000005 112.224 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 98' ' ' ILE . 1.2 pt? -127.58 115.57 19.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.783 -0.644 . . . . 1.8500000000000001 109.863 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.63 -79.28 0.7 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.664 -0.779 . . . . 1.8 112.03 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -149.69 4.88 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 2.23 110.818 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.432 HD13 ' C ' ' A' ' 17' ' ' PRO . 17.3 mt -87.35 137.84 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.82999999999999996 111.754 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.3 t -110.72 117.0 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.969 -0.559 . . . . 1.3500000000000001 110.806 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.543 ' HA ' HE22 ' A' ' 12' ' ' GLN . 27.7 t80 -115.35 117.26 29.93 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.725 -0.472 . . . . 1.6699999999999999 109.725 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.463 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 39.9 ttpt -130.46 132.22 45.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 2.0499999999999998 111.537 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.641 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 16.7 ptt180 -116.67 131.23 57.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 2.3199999999999998 111.186 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.66 119.5 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.40999999999999998 110.352 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.0 m -119.56 140.29 50.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.94 0.4 . . . . 1.1399999999999999 111.57 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.665 ' HB2' HE21 ' A' ' 10' ' ' GLN . 0.0 OUTLIER -106.68 140.08 40.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.909 -0.587 . . . . 2.04 110.47 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -71.0 127.7 33.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 3.0899999999999999 111.074 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.5 pt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.026 -0.534 . . . . 1.3100000000000001 111.132 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.787 0.327 . . . . 1.53 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.88 177.41 43.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.693 -0.765 . . . . 0.54000000000000004 112.398 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.52 ' HG3' ' HG2' ' A' ' 40' ' ' GLU . 75.9 tttt -119.57 124.11 45.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.32 . . . . 2.3799999999999999 110.8 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -125.99 146.48 49.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 1.1299999999999999 110.463 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.595 HE22 HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -116.97 128.81 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 1.3899999999999999 111.607 -178.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.419 HG22 ' HD2' ' A' ' 122' ' ' ARG . 51.7 t -69.71 126.12 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 1.24 109.974 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.534 ' HA ' ' HZ1' ' A' ' 36' ' ' LYS . 53.7 mt-30 -101.04 -37.53 8.57 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.828 0.307 . . . . 2.2000000000000002 111.828 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.7 t -166.09 162.32 17.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.129 0.49 . . . . 1.72 111.67 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.551 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 12.9 tm0? -145.25 132.62 20.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.782 -0.645 . . . . 2.0099999999999998 110.351 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.78 134.68 37.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.688 0.28 . . . . 2.3900000000000001 111.024 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 62.79 100.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 1.8799999999999999 110.974 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -55.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.984 -0.553 . . . . 3.2599999999999998 111.127 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 40.2 mt-10 -48.86 -48.6 70.82 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 112.858 0.688 . . . . 1.96 112.858 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 40.1 Cg_endo -66.58 -40.9 12.51 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.737 1.625 . . . . 0.71999999999999997 113.301 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.71 -49.88 55.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 1.46 111.323 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.651 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.45 -45.08 95.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 4.4800000000000004 112.046 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.551 ' N ' ' SD ' ' A' ' 19' ' ' MET . 12.0 tttm -70.43 -39.05 74.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.35 -0.386 . . . . 2.27 111.444 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.68 -11.97 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.084 0.469 . . . . 0.84999999999999998 110.515 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.8 tpt -101.18 -69.43 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.681 -0.69 . . . . 2.0499999999999998 110.653 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.55 6.48 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.947 -0.644 . . . . 0.96999999999999997 112.564 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.651 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 14.3 tp -80.98 139.17 49.53 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 122.979 -0.13 . . . . 1.45 110.705 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 1.8 Cg_endo -83.45 123.72 3.46 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.178 2.585 . . . . 0.93999999999999995 112.712 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.742 ' HA ' HD12 ' A' ' 29' ' ' ILE . 35.1 tt0 -52.32 -28.35 18.87 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.215 -0.448 . . . . 1.99 112.168 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.25 -49.05 77.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.669 0.248 . . . . 2.29 111.669 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.4 -37.7 74.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.166 0.508 . . . . 1.6499999999999999 110.905 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 26' ' ' GLU . 14.4 mt -62.77 -40.4 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.483 -0.78 . . . . 1.27 112.43 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 25.9 mm-40 -54.45 -47.9 72.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 1.4399999999999999 111.078 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -69.81 -31.54 69.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 2.8399999999999999 111.558 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.55 -30.4 49.18 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.901 -0.666 . . . . 0.82999999999999996 114.105 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 21.3 ptmt -71.3 -28.85 64.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.257 0.528 . . . . 1.8200000000000001 111.171 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.03 -6.5 54.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.917 0.389 . . . . 1.8899999999999999 110.586 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.417 HD13 ' HA2' ' A' ' 55' ' ' GLY . 66.3 mt -114.27 125.1 71.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.922 -0.581 . . . . 1.28 111.178 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.534 ' HZ1' ' HA ' ' A' ' 10' ' ' GLN . 27.5 mtpp -61.66 114.63 3.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 2.5800000000000001 110.479 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.72 160.7 18.85 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.847 -0.692 . . . . 0.48999999999999999 112.632 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.595 HG22 HE22 ' A' ' 8' ' ' GLN . 20.4 t -122.62 133.34 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.57 0.224 . . . . 0.80000000000000004 110.68 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.433 ' HA ' HD13 ' A' ' 52' ' ' ILE . 79.8 p -135.07 128.33 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 1.3999999999999999 111.289 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' HG2' ' HG3' ' A' ' 6' ' ' LYS . 41.4 mt-10 -134.61 127.72 31.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 2.1600000000000001 110.56 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.3 mp -113.75 119.11 60.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.881 0.372 . . . . 1.1599999999999999 111.46 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 91.6 t -108.36 114.68 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.52000000000000002 110.329 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -103.1 116.28 32.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.766 0.317 . . . . 1.3100000000000001 111.172 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -138.13 101.93 4.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.136 -0.483 . . . . 2.5299999999999998 111.482 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 47.38 64.97 2.55 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.275 -0.488 . . . . 1.77 113.31 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 65' ' ' LEU . 54.7 mtmt 68.58 -17.84 0.18 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.173 0.434 . . . . 3.1499999999999999 112.173 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 45' ' ' GLY . 59.7 mtpt -90.42 108.62 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.119 -0.326 . . . . 2.71 110.119 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 60.5 t -108.28 124.97 65.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.981 0.419 . . . . 1.3600000000000001 111.887 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -99.02 127.0 44.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.882 -0.599 . . . . 2.54 110.032 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.98 124.26 51.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 1.6899999999999999 110.826 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.3 m -125.68 127.22 45.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.63 111.357 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 39' ' ' SER . 44.2 mm -127.71 127.65 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 1.76 110.456 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.3 m -111.09 131.13 55.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.015 0.436 . . . . 1.0 111.702 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -120.67 109.41 15.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.774 -0.648 . . . . 4.1799999999999997 110.422 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' HA2' HD13 ' A' ' 35' ' ' ILE . . . 69.18 -85.07 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 2.0 112.497 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.3 p -138.59 13.76 2.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.713 0.292 . . . . 2.2000000000000002 111.416 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -112.95 129.67 56.4 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.389 -0.369 . . . . 2.5099999999999998 111.202 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.9 t -102.32 126.42 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 1.3799999999999999 110.583 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -112.16 121.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 1.6000000000000001 110.825 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -109.88 144.31 38.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 2.7400000000000002 111.518 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -147.75 161.68 40.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.945 -0.57 . . . . 1.79 110.78 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -145.26 129.05 17.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 2.0099999999999998 111.126 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -148.61 152.65 37.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 1.6599999999999999 111.146 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' ' 67' ' ' GLU . 33.1 m -96.0 131.96 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.62 110.717 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 46' ' ' LYS . 96.5 mt -41.83 -93.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.932 0.715 . . . . 1.5700000000000001 112.932 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.449 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . -74.91 40.91 1.21 Allowed Glycine 0 C--N 1.316 -0.545 0 CA-C-N 115.467 -0.788 . . . . 0.80000000000000004 113.698 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.553 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 16.6 mm-40 -149.76 132.47 15.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 2.6600000000000001 110.752 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -74.17 119.07 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 1.3200000000000001 110.515 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.5 t -116.52 157.43 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 1.8600000000000001 110.996 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -98.2 119.35 36.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.118 -0.492 . . . . 1.71 110.989 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 71' ' ' LEU . 7.3 mp -111.56 145.72 38.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 1.9099999999999999 110.747 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -85.97 134.17 33.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 2.1099999999999999 111.008 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.6 p -89.57 171.32 9.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 1.76 110.926 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.9 tpp -68.97 -25.62 64.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 3.79 110.82 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.6 p -78.89 -23.43 44.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 2.23 111.018 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.15 7.98 34.46 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.833 -0.699 . . . . 1.47 111.99 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -88.92 146.06 25.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 1.9399999999999999 110.86 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -91.42 119.15 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 2.9399999999999999 110.776 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.17 146.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.25 -0.432 . . . . 1.0600000000000001 111.21 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -108.57 132.91 53.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 3.1299999999999999 110.619 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.53 142.37 27.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.95 0.405 . . . . 0.68999999999999995 111.607 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.4 p -123.52 115.01 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 1.3999999999999999 110.813 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.421 HG23 ' HB ' ' A' ' 93' ' ' THR . 2.8 p -109.77 116.02 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 1.26 110.934 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.449 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 26.3 mtpp -104.64 143.36 33.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.398 -0.364 . . . . 2.1099999999999999 110.909 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.12 140.54 44.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 2.6200000000000001 111.008 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -104.12 -21.95 13.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 2.0600000000000001 110.801 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.95 33.47 62.68 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.65 -0.786 . . . . 1.6200000000000001 112.315 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -151.42 59.1 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.459 0.171 . . . . 2.8399999999999999 111.155 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.616 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 9.3 t30 54.85 14.24 0.87 Allowed 'General case' 0 C--O 1.225 -0.196 0 CA-C-O 120.644 0.259 . . . . 2.2200000000000002 110.997 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.7 128.39 30.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.204 0.526 . . . . 2.0499999999999998 112.132 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 54.9 ttm -142.02 146.79 35.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.242 -0.89 . . . . 1.96 109.867 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -131.54 122.36 50.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.047 0.451 . . . . 1.46 112.048 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.615 HG23 ' HB2' ' A' ' 100' ' ' SER . 4.8 t -133.65 135.25 44.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.83 -0.623 . . . . 0.52000000000000002 110.76 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.2 p -126.24 126.34 43.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.664 0.269 . . . . 1.23 111.566 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.5 ' HD2' ' HZ1' ' A' ' 96' ' ' LYS . 29.6 p90 -139.14 128.1 23.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.95999999999999996 111.209 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HZ1' ' HD2' ' A' ' 95' ' ' PHE . 36.0 mtmm 58.53 22.23 9.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 2.52 112.091 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.4 4.2 83.67 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.583 -0.818 . . . . 0.82999999999999996 112.967 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 69.0 mt -90.19 139.11 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.575 0.226 . . . . 1.45 110.426 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -95.89 118.07 31.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.89 0.376 . . . . 2.71 111.226 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.615 ' HB2' HG23 ' A' ' 93' ' ' THR . 62.1 m -122.41 120.28 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.576 . . . . 1.23 110.74 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.7 t -108.74 120.32 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.4 . . . . 0.58999999999999997 110.753 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 91' ' ' MET . 40.0 m -116.47 122.82 45.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.55 . . . . 0.58999999999999997 111.662 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -96.65 131.78 42.97 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.304 -0.628 . . . . 2.1000000000000001 109.304 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.616 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.07 116.17 31.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.112 0.782 . . . . 0.82999999999999996 113.112 -177.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.43 153.57 43.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.258 -0.883 . . . . 1.72 110.223 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.03 36.47 1.7 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.631 -0.795 . . . . 1.4399999999999999 112.856 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -172.89 -28.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.859 0.318 . . . . 2.5499999999999998 111.859 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.0 m -140.97 133.52 28.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.895 0.378 . . . . 1.53 111.86 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.401 ' HB ' ' OG ' ' A' ' 124' ' ' SER . 40.6 mm -118.47 121.57 67.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 1.54 110.902 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -110.91 139.3 46.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.401 -0.363 . . . . 0.44 111.325 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 121' ' ' LYS . 24.7 t-20 -123.93 131.74 53.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.281 -0.418 . . . . 1.95 111.022 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 100' ' ' SER . 1.8 m -120.29 118.39 30.3 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.392 -0.367 . . . . 0.56999999999999995 111.491 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.623 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 63.8 mtt -124.38 127.37 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.079 -0.341 . . . . 1.51 110.079 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.5 m -120.67 121.81 39.09 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.985 0.422 . . . . 0.56000000000000005 111.976 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.418 ' C ' HD13 ' A' ' 115' ' ' LEU . 3.1 tm? -144.59 115.78 7.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.814 -0.63 . . . . 1.8500000000000001 109.855 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.43 95.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.542 -0.837 . . . . 1.8 112.268 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 66.82 5.59 4.08 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 122.382 0.273 . . . . 2.23 111.656 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.4 mt -87.5 137.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.589 -0.278 . . . . 0.82999999999999996 110.75 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.2 t -105.13 134.28 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.179 0.514 . . . . 1.3500000000000001 111.747 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.623 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 42.1 t80 -125.11 120.15 30.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.563 -0.744 . . . . 1.6699999999999999 110.032 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.551 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 40.4 ttpt -128.22 124.25 36.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.462 -0.336 . . . . 2.0499999999999998 111.322 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.419 ' HD2' HG22 ' A' ' 9' ' ' VAL . 41.6 ttp180 -112.41 122.77 48.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 2.3199999999999998 110.567 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 62.1 t -102.51 119.59 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.942 -0.572 . . . . 0.40999999999999998 110.57 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 89.1 p -130.24 138.95 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.854 0.359 . . . . 1.1399999999999999 111.051 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.28 144.42 44.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.058 -0.519 . . . . 2.04 110.869 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -71.34 133.89 46.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 3.0899999999999999 111.151 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.2 pt . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.187 -0.46 . . . . 1.3100000000000001 111.065 179.722 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.781 0.324 . . . . 1.53 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.57 167.44 38.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.777 . . . . 0.54000000000000004 112.579 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -107.29 118.73 37.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 2.3799999999999999 110.539 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -119.63 150.57 40.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 1.1299999999999999 110.742 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.618 HE22 HG22 ' A' ' 38' ' ' VAL . 7.7 tp-100 -126.22 129.88 49.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 1.3899999999999999 110.848 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.6 t -68.99 136.47 26.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.489 . . . . 1.24 110.611 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -109.14 -42.49 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 2.2000000000000002 111.3 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -161.4 163.05 30.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.05 0.453 . . . . 1.72 111.47 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.583 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 7.9 tm0? -145.68 133.07 20.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.737 -0.665 . . . . 2.0099999999999998 110.26 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -94.27 126.59 39.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.726 -0.216 . . . . 2.3900000000000001 110.671 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.584 ' ND2' HG22 ' A' ' 118' ' ' ILE . 0.4 OUTLIER 80.15 148.23 0.09 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.89 0.744 . . . . 1.8799999999999999 111.122 -179.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -166.95 -45.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 3.2599999999999998 111.522 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . 10.0 mm-40 -63.18 -49.9 78.08 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.163 0.431 . . . . 1.96 112.163 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 12.2 Cg_exo -70.43 -41.47 3.4 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.983 1.789 . . . . 0.71999999999999997 112.685 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.452 ' HB2' HD21 ' A' ' 14' ' ' ASN . 81.2 t80 -59.95 -52.15 66.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 1.46 111.056 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.594 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 23.0 mmt -65.46 -38.38 89.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 4.4800000000000004 111.609 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.501 ' NZ ' ' HB3' ' A' ' 26' ' ' GLU . 12.8 mptt -58.06 -43.7 87.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.105 0.479 . . . . 2.27 110.419 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -17.22 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.543 -0.753 . . . . 0.84999999999999998 110.803 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.1 tpp -93.78 -76.71 0.47 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.793 -0.64 . . . . 2.0499999999999998 110.715 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.49 39.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.011 -0.614 . . . . 0.96999999999999997 112.325 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 17.5 tp -117.74 133.43 23.32 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.547 0.213 . . . . 1.45 110.864 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' A' ' 24' ' ' LEU . 63.2 Cg_endo -71.73 136.49 28.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.505 2.137 . . . . 0.93999999999999995 112.47 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.812 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -51.59 -33.56 33.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.718 -0.674 . . . . 1.99 111.801 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -56.34 -47.74 78.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.723 0.297 . . . . 2.29 110.972 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.521 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.0 mp -69.66 -36.97 76.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 1.6499999999999999 111.401 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 26' ' ' GLU . 58.0 mt -59.11 -48.58 86.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 1.27 111.885 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 23.2 mm-40 -57.23 -41.57 79.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.034 -0.53 . . . . 1.4399999999999999 111.504 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -68.76 -31.73 70.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.371 . . . . 2.8399999999999999 111.223 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.14 -49.33 12.92 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.931 -0.652 . . . . 0.82999999999999996 112.819 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -65.49 -32.16 73.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.738 0.304 . . . . 1.8200000000000001 111.166 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.51 -19.88 65.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 1.8899999999999999 110.945 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.2 mt -114.07 127.07 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 1.28 111.225 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.85 124.96 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 2.5800000000000001 110.596 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.8 158.94 53.36 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.738 -0.744 . . . . 0.48999999999999999 112.566 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.618 HG22 HE22 ' A' ' 8' ' ' GLN . 17.7 t -122.26 133.4 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.556 0.217 . . . . 0.80000000000000004 110.59 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.529 ' HA ' HD13 ' A' ' 52' ' ' ILE . 80.0 p -135.16 128.04 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.01 0.433 . . . . 1.3999999999999999 111.905 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -134.98 132.19 38.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 2.1600000000000001 109.677 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.6 mt -125.06 122.3 62.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.236 0.458 . . . . 1.1599999999999999 112.236 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.23 114.58 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.52000000000000002 110.048 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -103.98 118.79 37.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 1.3100000000000001 111.5 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -136.53 103.91 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.935 -0.575 . . . . 2.5299999999999998 110.521 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.97 -94.64 0.18 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 1.77 112.242 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -127.96 -17.64 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 3.1499999999999999 110.678 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -91.3 112.98 25.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.504 . . . . 2.71 110.729 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 63' ' ' PHE . 10.8 p -109.74 141.96 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 1.3600000000000001 111.027 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.547 ' HG2' ' HB3' ' A' ' 62' ' ' GLU . 59.9 mttp -116.29 123.76 48.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.294 -0.412 . . . . 2.54 110.839 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.9 tp -110.43 123.48 49.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.935 -0.575 . . . . 1.6899999999999999 110.767 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.1 m -118.28 126.71 52.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.63 111.149 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' A' ' 39' ' ' SER . 30.9 mm -130.56 125.92 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 1.76 110.057 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 91.5 m -105.3 128.09 53.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.049 0.452 . . . . 1.0 112.014 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 57' ' ' LYS . 34.0 m-85 -123.97 108.75 12.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.579 -0.737 . . . . 4.1799999999999997 110.776 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.01 66.52 2.14 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.64 -0.791 . . . . 2.0 113.183 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 m 66.75 -0.03 1.74 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.781 0.659 . . . . 2.2000000000000002 112.781 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 54' ' ' TYR . 39.5 ttpt -96.64 136.17 37.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.753 0.311 . . . . 2.5099999999999998 110.608 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.9 t -105.26 126.42 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.381 -0.372 . . . . 1.3799999999999999 111.444 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.441 HD11 ' HE3' ' A' ' 57' ' ' LYS . 50.7 mt -116.86 116.18 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 1.6000000000000001 110.481 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -118.25 140.29 50.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.349 -0.387 . . . . 2.7400000000000002 111.742 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -158.64 119.32 3.31 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.074 -0.512 . . . . 1.79 111.089 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.547 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 10.1 pt-20 -106.08 140.58 38.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.37 -0.377 . . . . 2.0099999999999998 110.482 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 48' ' ' VAL . 1.8 p90 -148.83 152.3 36.26 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.03 0.443 . . . . 1.6599999999999999 111.557 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -96.65 131.24 43.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.902 -0.59 . . . . 0.62 111.236 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' A' ' 65' ' ' LEU . 15.3 mt -52.92 134.14 37.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.729 -0.669 . . . . 1.5700000000000001 110.98 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.31 44.07 98.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.80000000000000004 112.389 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -153.12 148.93 27.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.719 0.295 . . . . 2.6600000000000001 110.766 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.431 ' HA ' HG22 ' A' ' 82' ' ' VAL . 44.1 tt0 -81.32 119.04 23.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 1.3200000000000001 110.62 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.6 t -119.8 158.29 26.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 1.8600000000000001 110.61 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.449 ' C ' HD22 ' A' ' 71' ' ' LEU . 43.9 tt0 -95.18 119.07 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 1.71 111.052 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.449 HD22 ' C ' ' A' ' 70' ' ' GLU . 3.4 mm? -120.06 145.91 46.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.711 -0.677 . . . . 1.9099999999999999 110.301 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -85.49 148.0 26.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.763 0.316 . . . . 2.1099999999999999 110.423 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.7 p -95.49 177.97 5.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 1.76 110.947 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.92 -12.82 57.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 3.79 110.57 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.6 p -103.46 -1.75 27.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.605 . . . . 2.23 111.194 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.13 3.37 79.34 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.697 -0.763 . . . . 1.47 112.159 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.98 136.11 37.12 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.768 0.318 . . . . 1.9399999999999999 110.822 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.442 ' HE2' ' HG2' ' A' ' 70' ' ' GLU . 13.6 mmmm -85.42 124.49 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 2.9399999999999999 111.304 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.3 m -129.8 164.46 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.937 -0.574 . . . . 1.0600000000000001 110.944 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -107.03 131.88 53.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 3.1299999999999999 111.453 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.88 142.0 27.16 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 0.68999999999999995 111.795 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 68' ' ' GLU . 66.0 t -103.91 120.12 53.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.044 -0.525 . . . . 1.3999999999999999 110.885 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 t -100.24 117.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 1.26 110.203 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -127.27 151.26 48.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 2.1099999999999999 111.305 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.8 mtm -110.74 120.75 43.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 2.6200000000000001 110.779 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.696 ' H ' ' HA ' ' A' ' 91' ' ' MET . 9.3 tp10 -72.07 -10.79 60.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.059 0.457 . . . . 2.0600000000000001 110.384 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.81 -124.7 3.88 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.703 -0.68 . . . . 1.6200000000000001 112.808 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 7.6 m-20 -98.59 127.55 44.56 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.811 0.339 . . . . 2.8399999999999999 110.859 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 3.9 t-20 73.42 -10.1 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.328 -0.851 . . . . 2.2200000000000002 111.889 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 128.74 38.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.085 0.469 . . . . 2.0499999999999998 112.066 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.696 ' HA ' ' H ' ' A' ' 86' ' ' GLU . 61.7 mtt -141.1 135.48 30.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.582 -0.736 . . . . 1.96 110.104 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.4 117.95 56.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 120.949 0.404 . . . . 1.46 112.089 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 100' ' ' SER . 2.2 t -135.32 125.4 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 0.52000000000000002 110.391 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.1 p -126.4 139.3 53.38 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.04 0.385 . . . . 1.23 112.04 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -138.73 133.54 32.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.01 -0.541 . . . . 0.95999999999999996 110.666 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt 59.38 -88.6 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.233 -0.439 . . . . 2.52 111.05 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -149.72 3.66 0.62 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.018 -0.611 . . . . 0.82999999999999996 111.906 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 98' ' ' ILE . 4.1 mp -90.91 139.57 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.638 0.256 . . . . 1.45 110.756 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -95.35 120.08 34.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.405 -0.361 . . . . 2.71 110.666 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.428 ' HB3' HG23 ' A' ' 93' ' ' THR . 47.6 t -121.54 120.88 36.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.044 -0.526 . . . . 1.23 111.156 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.5 t -120.35 122.76 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 0.58999999999999997 110.205 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 87.2 m -112.22 125.52 54.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 0.58999999999999997 111.844 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 33.3 mt-10 -96.48 128.35 43.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.966 -0.561 . . . . 2.1000000000000001 109.851 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -109.21 116.52 32.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.163 0.506 . . . . 0.82999999999999996 112.196 -178.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER -125.28 153.46 43.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.543 -0.753 . . . . 1.72 110.382 179.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.35 43.83 2.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.622 -0.799 . . . . 1.4399999999999999 112.936 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -172.79 -41.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.732 0.301 . . . . 2.5499999999999998 111.171 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 75.0 m -140.98 124.7 16.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 1.53 111.794 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 109' ' ' ILE . 1.9 mp -106.6 121.34 59.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.145 -0.48 . . . . 1.54 110.463 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.1 m -115.15 139.62 49.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.44 111.482 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.56 ' ND2' ' HG3' ' A' ' 113' ' ' MET . 7.9 t30 -112.95 141.62 46.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 1.95 110.431 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.0 m -119.35 118.63 31.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.746 0.308 . . . . 0.56999999999999995 111.799 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.571 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 60.8 mtt -124.27 121.33 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.51 110.264 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.7 m -126.57 122.28 34.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.56000000000000005 111.445 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.424 HD12 HG12 ' A' ' 98' ' ' ILE . 8.8 tt -128.66 115.08 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.999 -0.546 . . . . 1.8500000000000001 109.987 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.58 -73.45 1.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 1.8 112.194 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -164.1 16.93 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 2.23 110.643 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.584 HG22 ' ND2' ' A' ' 14' ' ' ASN . 4.0 mt -105.28 137.58 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.82999999999999996 110.74 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.6 p -104.8 137.38 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.293 0.568 . . . . 1.3500000000000001 112.359 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.571 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 42.2 t80 -131.18 119.91 22.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.192 -0.913 . . . . 1.6699999999999999 109.658 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.583 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 48.7 mttm -127.64 129.35 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 2.0499999999999998 111.353 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -112.4 122.1 46.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 2.3199999999999998 110.253 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.51 120.72 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.40999999999999998 110.784 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 80.1 p -131.87 132.76 43.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 1.1399999999999999 111.193 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.24 133.15 51.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.985 -0.552 . . . . 2.04 110.552 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -71.15 143.86 50.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 3.0899999999999999 111.006 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.2 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 1.3100000000000001 111.154 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtp . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 120.844 0.354 . . . . 6.9100000000000001 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -95.25 110.43 22.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 3.46 111.103 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 4' ' ' SER . 78.5 m-85 -149.63 108.18 3.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 3.3999999999999999 110.603 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.558 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 42.0 t 68.59 139.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.865 -0.607 . . . . 1.53 111.353 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.58 156.43 13.27 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.777 -0.647 . . . . 0.54000000000000004 112.224 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -97.02 130.6 44.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 2.3799999999999999 110.922 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -134.83 145.38 48.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 1.1299999999999999 110.919 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.633 HE22 HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -120.99 128.3 52.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 1.3899999999999999 111.155 -179.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 37' ' ' GLY . 10.9 m -69.96 142.93 15.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.921 -0.4 . . . . 1.24 109.921 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -129.2 -15.52 4.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.136 0.421 . . . . 2.2000000000000002 112.136 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -165.73 151.73 9.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.234 0.54 . . . . 1.72 112.209 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.624 HE22 ' N ' ' A' ' 121' ' ' LYS . 50.2 tp60 -145.35 144.64 30.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.257 -0.883 . . . . 2.0099999999999998 110.071 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -106.13 139.2 41.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.625 0.25 . . . . 2.3900000000000001 110.76 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 69.62 136.33 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.232 -0.44 . . . . 1.8799999999999999 110.759 -179.493 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.584 ' HB3' HG21 ' A' ' 29' ' ' ILE . 97.3 m-85 -145.92 -65.7 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 3.2599999999999998 111.489 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 15.2 mm-40 -51.63 -50.13 78.96 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.631 0.604 . . . . 1.96 112.631 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 36.9 Cg_endo -67.29 -40.65 10.64 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 121.426 1.417 . . . . 0.71999999999999997 112.075 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.482 ' HB2' ' OD1' ' A' ' 14' ' ' ASN . 65.3 t80 -60.1 -52.17 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 1.46 111.465 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.559 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.67 -43.65 92.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 4.4800000000000004 111.773 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 76.1 mttt -58.49 -42.27 87.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.473 -0.33 . . . . 2.27 111.425 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.17 -22.26 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.375 . . . . 0.84999999999999998 111.323 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.8 tpt -95.21 -73.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 2.0499999999999998 111.034 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.98 18.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.893 -0.67 . . . . 0.96999999999999997 112.24 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' HD2' ' A' ' 25' ' ' PRO . 19.0 tp -91.02 130.66 39.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.418 0.151 . . . . 1.45 110.66 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.576 ' HD2' HD12 ' A' ' 24' ' ' LEU . 68.1 Cg_endo -72.26 132.42 19.37 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.587 2.191 . . . . 0.93999999999999995 112.385 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 10.5 pt-20 -50.98 -26.74 6.4 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.968 -0.56 . . . . 1.99 111.914 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.99 -45.58 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.764 0.316 . . . . 2.29 111.041 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD13 ' HG2' ' A' ' 25' ' ' PRO . 9.9 mp -68.95 -39.24 79.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 1.6499999999999999 112.051 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 15' ' ' PHE . 2.7 mp -61.68 -46.34 96.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 111.761 0.282 . . . . 1.27 111.761 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 30.1 mm-40 -54.82 -43.58 73.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.845 0.355 . . . . 1.4399999999999999 111.144 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -70.02 -32.1 70.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.359 . . . . 2.8399999999999999 111.703 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.76 -31.6 32.32 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.796 -0.716 . . . . 0.82999999999999996 114.085 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -66.46 -29.74 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.168 0.484 . . . . 1.8200000000000001 111.127 -179.22 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -83.22 -7.39 59.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.36 . . . . 1.8899999999999999 110.755 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.5 mt -114.3 121.07 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.28 111.158 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -73.3 102.29 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 2.5800000000000001 110.641 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.423 ' O ' HG22 ' A' ' 9' ' ' VAL . . . -59.24 171.38 5.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.944 -0.646 . . . . 0.48999999999999999 112.665 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.633 HG22 HE22 ' A' ' 8' ' ' GLN . 3.3 t -122.06 145.76 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.386 . . . . 0.80000000000000004 111.254 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 52' ' ' ILE . 51.0 m -134.33 129.56 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.975 -0.557 . . . . 1.3999999999999999 110.654 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -131.03 124.78 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 2.1600000000000001 110.574 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.8 mt -108.7 119.15 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 1.1599999999999999 111.455 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 48.8 t -108.03 114.75 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 0.52000000000000002 110.769 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.558 ' H ' ' HB2' ' A' ' 4' ' ' SER . 25.7 t-80 -103.19 116.1 31.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.483 -0.326 . . . . 1.3100000000000001 110.805 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -138.19 101.44 4.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.315 -0.402 . . . . 2.5299999999999998 111.465 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 46.17 69.22 0.86 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.101 -0.499 . . . . 1.77 113.663 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 68.44 -20.68 0.14 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.214 0.45 . . . . 3.1499999999999999 112.214 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 45' ' ' GLY . 50.5 mtmt -90.92 108.43 19.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 2.71 110.536 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.4 t -109.36 128.4 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 1.3600000000000001 111.445 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -106.76 134.32 50.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 2.54 110.683 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' HB2' ' HE2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -106.1 125.15 50.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.6899999999999999 110.588 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 71.7 m -120.69 127.43 52.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.63 111.266 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 39' ' ' SER . 46.2 mm -129.54 125.67 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 1.76 110.42 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.7 m -110.52 130.53 55.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.935 0.398 . . . . 1.0 111.881 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -121.5 109.2 14.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.908 -0.587 . . . . 4.1799999999999997 110.606 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.25 -83.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 2.0 112.709 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.2 p -138.55 15.36 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.697 0.284 . . . . 2.2000000000000002 111.141 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -111.8 135.5 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 2.5099999999999998 110.941 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.2 t -109.55 126.68 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 1.3799999999999999 110.592 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 51' ' ' THR . 50.5 mm -112.65 116.51 52.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 1.6000000000000001 110.894 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -114.17 136.8 52.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 2.7400000000000002 111.2 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' ND2' HD11 ' A' ' 71' ' ' LEU . 14.1 m120 -139.33 160.4 39.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.108 -0.496 . . . . 1.79 110.834 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -138.01 135.56 36.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 2.0099999999999998 110.845 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.48 ' HE2' ' HB2' ' A' ' 50' ' ' LEU . 29.7 p90 -148.82 151.83 35.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 1.6599999999999999 111.295 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' A' ' 67' ' ' GLU . 24.7 m -107.26 127.87 53.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 0.62 111.026 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.48 136.7 58.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.236 -0.438 . . . . 1.5700000000000001 110.816 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.515 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 62.77 34.86 90.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.80000000000000004 112.31 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 39.0 tt0 -155.97 128.25 7.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 2.6600000000000001 111.198 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 42.0 tt0 -74.44 119.19 18.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.173 -0.467 . . . . 1.3200000000000001 110.776 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.2 t -119.12 157.56 27.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.8600000000000001 110.667 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -95.72 120.27 35.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 1.71 111.071 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.432 HD11 ' ND2' ' A' ' 61' ' ' ASN . 54.2 tp -119.27 144.42 46.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 1.9099999999999999 110.72 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -88.06 146.85 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 2.1099999999999999 110.731 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.605 HG23 ' H ' ' A' ' 75' ' ' THR . 8.9 t -92.03 177.56 6.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.446 . . . . 1.76 110.308 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 49.0 ttp -66.38 -15.4 63.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.683 0.278 . . . . 3.79 111.043 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.605 ' H ' HG23 ' A' ' 73' ' ' THR . 18.4 p -93.33 -8.51 41.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.454 -0.339 . . . . 2.23 111.166 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.87 -5.08 63.63 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.698 -0.763 . . . . 1.47 112.894 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.48 140.31 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 1.9399999999999999 111.104 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -91.45 119.29 31.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 2.9399999999999999 110.805 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.11 148.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 1.0600000000000001 111.088 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -95.9 133.66 39.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.305 -0.407 . . . . 3.1299999999999999 110.827 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.75 142.48 27.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.68999999999999995 111.539 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 4.5 p -114.49 118.81 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 1.3999999999999999 110.951 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -109.1 122.52 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 1.26 111.056 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.515 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 39.7 mtmt -133.2 151.33 51.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 2.1099999999999999 110.799 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.1 ptm -98.3 144.25 27.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 2.6200000000000001 110.438 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -98.33 -12.23 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 2.0600000000000001 110.83 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.39 -120.16 2.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 1.6200000000000001 113.027 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -91.68 129.45 37.65 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.071 0.462 . . . . 2.8399999999999999 110.981 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.663 HD21 ' HE3' ' A' ' 90' ' ' LYS . 1.8 p-10 51.39 12.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.151 -0.931 . . . . 2.2200000000000002 112.868 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.663 ' HE3' HD21 ' A' ' 89' ' ' ASN . 53.0 mttt -137.8 125.6 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 2.0499999999999998 112.092 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.4 mtt -141.39 133.59 27.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.532 -0.758 . . . . 1.96 110.004 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.5 t -112.17 118.15 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.988 0.423 . . . . 1.46 111.765 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.523 HG23 ' HB2' ' A' ' 100' ' ' SER . 5.0 t -134.35 122.98 23.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 0.52000000000000002 110.366 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.6 m -126.42 140.21 52.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 1.23 111.521 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -138.66 130.37 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.95999999999999996 110.99 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp 60.16 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.083 -0.508 . . . . 2.52 111.525 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.14 15.58 0.88 Allowed Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.699 -0.762 . . . . 0.82999999999999996 112.564 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.534 HD12 ' HB3' ' A' ' 115' ' ' LEU . 45.0 mm -104.45 138.04 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 1.45 110.881 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.65 118.25 32.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 2.71 110.425 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.523 ' HB2' HG23 ' A' ' 93' ' ' THR . 57.9 m -122.14 120.98 35.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 1.23 111.282 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.0 t -124.03 121.95 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.58999999999999997 110.64 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 84.7 m -114.88 128.4 56.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.983 -0.553 . . . . 0.58999999999999997 111.605 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 39.6 mt-10 -96.46 123.45 40.12 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.848 -0.427 . . . . 2.1000000000000001 109.848 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.602 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -101.65 117.53 35.08 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.715 0.635 . . . . 0.82999999999999996 112.715 -178.154 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.494 HD21 ' HB2' ' A' ' 89' ' ' ASN . 11.8 m120 -124.47 153.17 42.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.523 -0.762 . . . . 1.72 110.413 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.25 39.69 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 1.4399999999999999 112.772 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -172.74 -29.75 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.67 0.235 . . . . 2.5499999999999998 111.536 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.4 p -140.9 146.31 37.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.767 0.318 . . . . 1.53 111.583 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.9 mm -125.38 120.49 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 1.54 111.088 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.9 m -115.91 138.11 51.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.166 -0.47 . . . . 0.44 111.225 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.605 HD21 ' HG3' ' A' ' 113' ' ' MET . 9.2 t30 -121.93 138.67 54.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 1.95 110.586 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' SER . 2.9 m -120.1 120.53 36.51 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.93 0.345 . . . . 0.56999999999999995 111.93 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.605 ' HG3' HD21 ' A' ' 111' ' ' ASN . 66.7 mtt -124.57 120.85 33.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 1.51 110.036 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.8 m -121.32 121.05 36.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.056 0.455 . . . . 0.56000000000000005 111.644 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.534 ' HB3' HD12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -145.2 115.88 7.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.744 -0.662 . . . . 1.8500000000000001 110.462 179.411 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.26 47.57 83.45 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.608 -0.806 . . . . 1.8 112.744 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.8 t70 67.13 3.11 3.03 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.776 0.287 . . . . 2.23 111.776 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 29.1 mt -87.77 136.72 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.82999999999999996 111.172 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.8 t -111.72 117.89 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.131 0.491 . . . . 1.3500000000000001 111.848 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.537 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 21.7 t80 -116.79 118.05 31.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.573 -0.74 . . . . 1.6699999999999999 109.241 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.624 ' N ' HE22 ' A' ' 12' ' ' GLN . 39.2 ttpt -129.26 124.34 34.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.691 0.281 . . . . 2.0499999999999998 111.679 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -102.4 123.95 47.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.014 0.435 . . . . 2.3199999999999998 111.067 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.46 120.6 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.717 -0.674 . . . . 0.40999999999999998 110.376 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 17.3 m -129.71 144.97 51.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.965 0.412 . . . . 1.1399999999999999 111.574 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -109.06 149.5 29.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.747 -0.66 . . . . 2.04 110.787 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -70.67 138.76 50.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 3.0899999999999999 111.219 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 pt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 1.3100000000000001 111.147 179.873 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.807 0.337 . . . . 6.9100000000000001 110.738 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.573 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -85.45 115.06 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 3.46 111.218 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -141.9 -46.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 3.3999999999999999 110.882 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -99.88 134.66 42.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 1.53 111.003 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.32 168.04 28.9 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.789 -0.719 . . . . 0.54000000000000004 112.589 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.556 ' HD2' HD11 ' A' ' 127' ' ' ILE . 17.4 ttmm -110.83 128.68 55.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.35 . . . . 2.3799999999999999 110.92 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -120.85 141.14 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.1299999999999999 110.434 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.656 HE22 HG22 ' A' ' 38' ' ' VAL . 8.4 tp-100 -116.39 127.1 54.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 1.3899999999999999 111.204 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.72 140.18 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 1.24 110.73 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -129.4 -17.97 3.67 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.452 -0.34 . . . . 2.2000000000000002 111.819 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 t -167.67 161.4 13.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.988 0.423 . . . . 1.72 111.604 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.555 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 16.1 tm0? -146.01 154.62 42.08 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.879 -0.6 . . . . 2.0099999999999998 110.703 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -109.01 129.74 55.46 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.643 0.258 . . . . 2.3900000000000001 111.198 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.586 HD22 ' HG2' ' A' ' 17' ' ' PRO . 16.7 m120 66.05 117.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.321 -0.399 . . . . 1.8799999999999999 111.162 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -121.75 -64.83 1.18 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.979 0.419 . . . . 3.2599999999999998 111.436 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 34.7 mt-10 -55.27 -46.27 99.72 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 112.779 0.659 . . . . 1.96 112.779 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.586 ' HG2' HD22 ' A' ' 14' ' ' ASN . 61.6 Cg_exo -52.49 -41.26 68.82 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 121.646 1.564 . . . . 0.71999999999999997 113.14 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.505 ' HD2' HD11 ' A' ' 29' ' ' ILE . 59.8 t80 -58.28 -52.23 66.45 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.556 0.576 . . . . 1.46 112.556 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.685 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 1.9 ppp? -59.82 -36.24 76.38 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.815 0.302 . . . . 4.4800000000000004 111.815 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 63.8 mttm -61.17 -45.93 92.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.292 0.478 . . . . 2.27 112.292 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.77 -76.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.37 0.507 . . . . 0.84999999999999998 112.37 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.3 tpp -44.79 -23.39 0.13 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.31 -0.859 . . . . 2.0499999999999998 112.405 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.89 10.32 58.89 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.437 -0.887 . . . . 0.96999999999999997 111.17 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.685 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 21.0 tp -74.51 147.1 84.56 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.203 -0.666 . . . . 1.45 109.203 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.532 ' HD2' HD12 ' A' ' 24' ' ' LEU . 91.5 Cg_endo -78.03 128.51 9.16 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.201 1.934 . . . . 0.93999999999999995 112.097 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.539 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 39.9 tt0 -52.59 -25.99 12.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.361 -0.381 . . . . 1.99 110.984 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.07 -46.71 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.52 -0.309 . . . . 2.29 110.917 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.481 HD13 ' HG2' ' A' ' 25' ' ' PRO . 9.7 mp -66.54 -41.03 89.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 1.6499999999999999 111.229 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.505 HD11 ' HD2' ' A' ' 18' ' ' PHE . 7.7 mt -63.73 -46.29 94.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 1.27 110.996 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -63.72 -38.61 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.4399999999999999 110.988 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -67.86 -31.68 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 2.8399999999999999 110.728 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.16 -49.52 15.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.859 -0.686 . . . . 0.82999999999999996 112.704 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -60.29 -29.18 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 1.8200000000000001 111.072 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -68.84 -47.82 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 1.8899999999999999 110.947 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.58 120.12 37.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 1.28 111.205 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -59.26 121.44 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.38 -0.373 . . . . 2.5800000000000001 110.318 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.58 159.06 52.91 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.852 -0.689 . . . . 0.48999999999999999 112.865 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.656 HG22 HE22 ' A' ' 8' ' ' GLN . 21.2 t -122.81 136.52 59.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 0.80000000000000004 110.485 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 52' ' ' ILE . 78.1 p -135.3 130.91 35.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.956 0.408 . . . . 1.3999999999999999 111.442 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -134.75 126.31 28.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 2.1600000000000001 110.421 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.9 mt -113.09 125.21 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 1.1599999999999999 111.817 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -106.51 114.73 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.52000000000000002 109.445 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -101.44 116.76 33.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.091 0.472 . . . . 1.3100000000000001 111.842 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.6 101.72 4.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.766 -0.652 . . . . 2.5299999999999998 110.065 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.41 -102.24 0.25 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.725 -0.75 . . . . 1.77 112.076 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -118.01 -9.07 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 3.1499999999999999 110.431 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -95.59 111.12 23.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.965 -0.561 . . . . 2.71 110.723 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -115.28 133.58 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 1.3600000000000001 111.107 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -112.13 133.22 54.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 2.54 110.936 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tt -115.69 126.68 54.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 1.6899999999999999 110.54 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -118.95 127.44 53.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.63 111.549 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 39' ' ' SER . 45.1 mm -126.45 133.13 69.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 1.76 110.508 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.4 m -118.02 130.72 56.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 1.0 111.563 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.54 ' HB3' ' H51' ' A' ' 128' ' ' OLA . 56.1 m-85 -121.22 108.48 13.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.913 -0.585 . . . . 4.1799999999999997 110.543 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.53 -84.22 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 2.0 112.614 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.6 p -139.99 14.97 2.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.758 0.313 . . . . 2.2000000000000002 111.118 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -109.77 130.45 55.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.434 -0.348 . . . . 2.5099999999999998 110.939 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 p -98.89 131.58 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 1.3799999999999999 110.786 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.4 mt -120.7 115.97 48.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 1.6000000000000001 110.578 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -113.18 128.5 56.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 2.7400000000000002 111.22 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.444 ' ND2' HD11 ' A' ' 71' ' ' LEU . 15.8 m120 -135.38 161.27 35.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.149 -0.478 . . . . 1.79 110.998 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.63 139.88 28.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 2.0099999999999998 110.369 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.471 ' CD1' HG11 ' A' ' 83' ' ' VAL . 7.8 p90 -148.28 151.76 35.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.01 0.433 . . . . 1.6599999999999999 111.409 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.4 m -102.76 130.64 49.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.907 -0.588 . . . . 0.62 110.989 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD13 ' SD ' ' A' ' 85' ' ' MET . 38.7 mt -70.06 136.91 50.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 1.5700000000000001 111.212 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.67 15.1 79.43 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.981 -0.628 . . . . 0.80000000000000004 113.15 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -146.71 145.71 30.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.983 0.42 . . . . 2.6600000000000001 111.381 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -76.62 119.99 21.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.865 -0.607 . . . . 1.3200000000000001 110.387 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.4 m -118.64 151.04 38.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 1.8600000000000001 111.044 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -98.77 119.84 38.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 1.71 110.921 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.444 HD11 ' ND2' ' A' ' 61' ' ' ASN . 30.2 tp -119.95 146.49 45.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 1.9099999999999999 110.798 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -85.16 125.15 32.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.493 . . . . 2.1099999999999999 110.99 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.5 p -75.03 170.61 15.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 1.76 111.207 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -13.11 61.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 3.79 110.84 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.2 p -92.82 -21.31 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 2.23 111.088 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.3 6.83 35.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.873 -0.68 . . . . 1.47 112.219 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -90.28 141.31 28.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 1.9399999999999999 110.736 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -86.82 121.25 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 2.9399999999999999 110.844 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.6 m -125.51 150.22 30.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 1.0600000000000001 111.182 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -113.53 132.68 55.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 3.1299999999999999 110.45 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 95' ' ' PHE . . . -146.17 143.24 29.15 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.052 0.39 . . . . 0.68999999999999995 112.052 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.42 117.99 44.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.897 -0.592 . . . . 1.3999999999999999 110.883 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 63' ' ' PHE . 3.2 p -109.48 119.5 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 1.26 111.219 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 9.8 mtpm? -118.04 151.5 37.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.23 -0.441 . . . . 2.1099999999999999 110.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.453 ' SD ' HD13 ' A' ' 65' ' ' LEU . 17.9 ptt? -115.48 139.28 50.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.33 -0.396 . . . . 2.6200000000000001 110.992 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -105.73 -15.69 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.524 . . . . 2.0600000000000001 110.183 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.73 18.46 56.61 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.51 -0.768 . . . . 1.6200000000000001 112.823 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -150.28 75.24 1.23 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.277 . . . . 2.8399999999999999 111.603 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 2.3 m-80 53.73 15.51 0.81 Allowed 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.673 0.62 . . . . 2.2200000000000002 112.673 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -134.95 130.57 36.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.431 0.634 . . . . 2.0499999999999998 112.545 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.622 ' HB2' ' HB ' ' A' ' 102' ' ' THR . 96.8 mmm -141.45 124.09 15.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.984 -1.007 . . . . 1.96 109.435 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.0 118.81 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.049 0.452 . . . . 1.46 112.182 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.637 HG23 ' HB2' ' A' ' 100' ' ' SER . 2.6 t -134.19 119.6 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.52000000000000002 110.349 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 83.2 m -119.48 128.34 53.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.558 -0.292 . . . . 1.23 111.432 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.4 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 39.4 p90 -135.82 131.31 35.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.95999999999999996 110.973 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 59.41 -85.71 0.02 OUTLIER 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.965 -0.561 . . . . 2.52 111.35 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.67 1.38 0.34 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.853 -0.689 . . . . 0.82999999999999996 112.387 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 98' ' ' ILE . 3.5 mp -90.19 136.86 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.642 0.258 . . . . 1.45 110.824 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -97.4 120.4 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 2.71 110.806 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.637 ' HB2' HG23 ' A' ' 93' ' ' THR . 70.7 m -121.94 121.25 36.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.161 -0.472 . . . . 1.23 111.139 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 t -120.11 122.6 68.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.09 -0.504 . . . . 0.58999999999999997 110.486 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.622 ' HB ' ' HB2' ' A' ' 91' ' ' MET . 86.5 m -114.34 128.79 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.422 -0.354 . . . . 0.58999999999999997 111.812 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 32.6 tt0 -96.5 120.32 36.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.417 -0.586 . . . . 2.1000000000000001 109.417 178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.571 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -94.92 116.47 28.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.338 0.589 . . . . 0.82999999999999996 112.533 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.416 HD21 ' HG2' ' A' ' 103' ' ' GLU . 6.9 m120 -125.43 153.07 44.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.507 -0.769 . . . . 1.72 110.328 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.35 23.47 6.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.46 -0.876 . . . . 1.4399999999999999 112.045 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -146.27 -45.07 0.19 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.614 0.245 . . . . 2.5499999999999998 111.416 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 26.7 m -140.53 126.62 19.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.821 0.343 . . . . 1.53 111.496 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 109' ' ' ILE . 1.8 mp -102.25 120.83 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 1.54 110.628 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.9 m -115.91 139.81 49.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.058 -0.519 . . . . 0.44 111.649 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.675 ' HB3' ' HG2' ' A' ' 122' ' ' ARG . 2.7 t-20 -124.06 141.94 51.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.692 0.282 . . . . 1.95 110.791 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 100' ' ' SER . 5.5 m -117.64 123.28 45.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.322 -0.399 . . . . 0.56999999999999995 111.724 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.477 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 88.8 mtp -124.71 120.74 32.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 1.51 110.099 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 98' ' ' ILE . 37.4 m -113.55 121.51 44.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.379 . . . . 0.56000000000000005 111.832 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 115' ' ' LEU . 3.2 tm? -144.71 115.86 7.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 1.8500000000000001 110.135 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.65 43.76 95.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.518 -0.849 . . . . 1.8 112.29 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 67.44 3.24 3.23 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.387 0.275 . . . . 2.23 111.644 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.438 HD13 ' C ' ' A' ' 17' ' ' PRO . 17.2 mt -88.78 137.82 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.82999999999999996 111.308 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.1 t -107.53 116.64 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.176 0.513 . . . . 1.3500000000000001 111.307 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.499 ' HA ' HE22 ' A' ' 12' ' ' GLN . 36.0 t80 -113.39 118.61 35.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.844 -0.798 . . . . 1.6699999999999999 108.844 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.555 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 23.7 ttmm -128.08 129.48 46.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.549 -0.296 . . . . 2.0499999999999998 111.547 -178.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.675 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 12.0 ptp180 -107.34 133.77 51.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.917 0.389 . . . . 2.3199999999999998 110.962 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.67 119.84 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.40999999999999998 110.7 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 80.4 p -131.57 141.38 49.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.438 -0.347 . . . . 1.1399999999999999 111.247 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -105.77 148.77 27.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.204 -0.453 . . . . 2.04 110.723 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -84.75 126.43 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 3.0899999999999999 111.174 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.556 HD11 ' HD2' ' A' ' 6' ' ' LYS . 22.4 pt . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.013 -0.54 . . . . 1.3100000000000001 111.085 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' OLA . . . . . 0.54 ' H51' ' HB3' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.858 0.361 . . . . 6.9100000000000001 110.81 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -109.63 127.01 54.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 3.46 111.015 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 72.81 -34.44 0.3 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.89 -0.595 . . . . 3.3999999999999999 112.188 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB2' ' HB3' ' A' ' 43' ' ' HIS . 38.7 t 56.41 94.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.931 0.396 . . . . 1.53 110.424 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.52 177.32 40.84 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.689 -0.767 . . . . 0.54000000000000004 112.652 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -108.55 129.86 55.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.958 0.409 . . . . 2.3799999999999999 111.496 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.41 ' HB3' ' HB3' ' A' ' 124' ' ' SER . 25.8 m-85 -118.01 150.02 39.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.836 -0.62 . . . . 1.1299999999999999 110.125 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.637 HE22 HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -117.5 128.12 54.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.012 0.375 . . . . 1.3899999999999999 112.012 -178.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.73 117.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.918 -0.583 . . . . 1.24 110.163 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.408 ' HG3' ' NZ ' ' A' ' 125' ' ' LYS . 81.4 mm-40 -93.05 -34.96 13.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.1 0.408 . . . . 2.2000000000000002 112.1 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.1 p -165.56 168.53 16.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 1.72 111.56 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.509 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 17.7 tm0? -143.51 140.74 30.44 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.873 -0.603 . . . . 2.0099999999999998 110.573 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.94 131.66 40.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.518 -0.31 . . . . 2.3900000000000001 111.441 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 63.5 98.09 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.204 -0.453 . . . . 1.8799999999999999 110.897 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.46 -55.6 2.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 3.2599999999999998 111.139 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.55 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 44.1 mt-10 -50.85 -50.0 76.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.299 0.481 . . . . 1.96 112.299 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 27.3 Cg_endo -62.8 -40.3 36.9 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 121.918 1.745 . . . . 0.71999999999999997 112.995 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CA ' HG21 ' A' ' 118' ' ' ILE . 8.0 t80 -67.7 -52.1 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.997 0.427 . . . . 1.46 111.56 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.616 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.72 -43.97 97.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.901 -0.59 . . . . 4.4800000000000004 112.299 -178.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' N ' ' SD ' ' A' ' 19' ' ' MET . 13.5 tttm -70.55 -38.41 74.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.271 -0.422 . . . . 2.27 111.742 -178.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -9.21 19.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.84999999999999998 110.836 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.5 tpt -104.39 -67.7 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 2.0499999999999998 110.812 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.75 6.66 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.948 -0.644 . . . . 0.96999999999999997 112.25 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.616 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 18.6 tp -83.41 129.22 61.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 110.575 -0.157 . . . . 1.45 110.575 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.624 ' O ' HD12 ' A' ' 29' ' ' ILE . 71.6 Cg_endo -75.11 129.29 12.11 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.429 2.086 . . . . 0.93999999999999995 112.163 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.517 ' HA ' HD13 ' A' ' 29' ' ' ILE . 13.7 pt-20 -48.88 -25.74 2.07 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.127 -0.488 . . . . 1.99 112.018 -178.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.61 -47.56 83.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.8 0.334 . . . . 2.29 110.741 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.596 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.1 mp -69.48 -37.88 77.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.465 . . . . 1.6499999999999999 111.647 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 25' ' ' PRO . 3.7 mp -62.28 -43.21 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.616 -0.266 . . . . 1.27 111.275 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -60.64 -46.6 89.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 1.4399999999999999 111.412 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.81 -31.39 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 2.8399999999999999 111.471 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.48 -34.97 30.51 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.841 -0.695 . . . . 0.82999999999999996 113.431 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.94 -25.09 61.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.908 0.354 . . . . 1.8200000000000001 111.057 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.67 -29.99 71.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.8899999999999999 110.806 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.3 mt -102.45 122.67 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.28 110.961 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -59.34 122.26 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 2.5800000000000001 110.871 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.59 159.33 34.7 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.821 -0.704 . . . . 0.48999999999999999 112.519 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.637 HG22 HE22 ' A' ' 8' ' ' GLN . 21.9 t -122.34 133.72 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.715 0.293 . . . . 0.80000000000000004 110.765 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 m -135.19 135.95 41.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.353 -0.385 . . . . 1.3999999999999999 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -134.86 129.65 34.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 2.1600000000000001 110.795 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.422 HD12 HD21 ' A' ' 50' ' ' LEU . 4.0 mm -110.74 118.65 57.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.905 0.383 . . . . 1.1599999999999999 111.359 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 49' ' ' LYS . 46.9 t -107.85 123.09 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.691 -0.686 . . . . 0.52000000000000002 110.227 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 4' ' ' SER . 15.2 t-80 -107.56 116.18 31.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 1.3100000000000001 111.62 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -137.62 102.01 4.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.984 -0.553 . . . . 2.5299999999999998 110.33 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.58 -105.3 0.79 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.643 -0.789 . . . . 1.77 111.996 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HG3' ' HD3' ' A' ' 47' ' ' LYS . 16.1 ptpt -118.78 -8.15 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 3.1499999999999999 110.465 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HD3' ' HG3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -96.56 116.29 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 2.71 110.437 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 63' ' ' PHE . 10.1 p -105.39 136.81 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 1.3600000000000001 111.086 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.551 ' HB2' ' HB ' ' A' ' 42' ' ' VAL . 7.6 mtpm? -109.32 123.61 49.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.159 -0.473 . . . . 2.54 110.654 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.422 HD21 HD12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -112.9 123.48 50.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 1.6899999999999999 110.444 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.5 m -125.34 127.13 46.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.317 -0.401 . . . . 0.63 111.241 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 58.3 mt -128.9 123.99 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.848 -0.615 . . . . 1.76 110.154 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.5 m -111.46 129.89 55.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.002 0.429 . . . . 1.0 111.777 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.606 ' HB3' ' H51' ' A' ' 128' ' ' OLA . 41.4 m-85 -121.57 109.15 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.721 -0.672 . . . . 4.1799999999999997 110.772 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.37 -83.86 0.13 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.794 -0.717 . . . . 2.0 112.732 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.4 t -138.96 16.48 2.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.33 . . . . 2.2000000000000002 111.139 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -115.35 133.0 56.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 2.5099999999999998 110.907 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.8 t -109.33 126.51 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.3799999999999999 110.636 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.2 mm -113.08 116.51 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.6000000000000001 110.968 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -112.84 131.98 55.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.181 -0.463 . . . . 2.7400000000000002 111.348 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 71' ' ' LEU . 19.6 m120 -152.46 122.58 7.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 1.79 110.705 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -115.38 143.33 45.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 2.0099999999999998 110.706 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.518 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -147.1 150.8 35.74 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.085 0.469 . . . . 1.6599999999999999 111.27 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 46.0 m -97.37 131.09 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 0.62 111.227 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -57.5 140.44 50.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 1.5700000000000001 110.913 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 60.32 48.5 85.84 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.849 -0.691 . . . . 0.80000000000000004 112.678 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -167.21 143.87 4.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.804 0.335 . . . . 2.6600000000000001 111.096 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.9 119.76 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.3200000000000001 110.925 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.7 m -118.54 157.4 27.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.416 . . . . 1.8600000000000001 110.729 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -116.64 119.93 37.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 1.71 111.161 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.428 ' HB2' ' ND2' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -120.06 145.76 46.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.037 -0.529 . . . . 1.9099999999999999 110.859 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.41 127.78 34.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.772 -0.649 . . . . 2.1099999999999999 110.743 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.0 p -84.88 178.05 7.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.042 -0.526 . . . . 1.76 111.168 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -62.98 -37.21 86.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 3.79 110.51 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.4 p -64.77 -18.27 64.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.025 -0.534 . . . . 2.23 110.974 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.49 -3.96 61.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.958 -0.639 . . . . 1.47 111.94 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.13 143.55 33.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 1.9399999999999999 110.827 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -92.5 119.39 31.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 2.9399999999999999 110.964 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.73 139.09 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 1.0600000000000001 111.457 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -107.87 132.85 53.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 3.1299999999999999 110.876 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.67 146.98 30.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.395 . . . . 0.68999999999999995 111.953 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.33 119.71 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.942 -0.572 . . . . 1.3999999999999999 110.533 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 p -108.97 122.52 63.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.205 -0.452 . . . . 1.26 111.185 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 42.3 mtpt -134.52 151.21 50.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.461 . . . . 2.1099999999999999 110.691 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 ptm -101.37 135.79 42.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 2.6200000000000001 110.742 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -89.89 -15.47 32.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.964 0.412 . . . . 2.0600000000000001 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.83 -118.74 2.13 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.734 -0.746 . . . . 1.6200000000000001 113.085 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.39 123.2 46.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.032 0.444 . . . . 2.8399999999999999 111.47 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.501 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 28.7 m-80 73.17 -3.54 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.11 -0.95 . . . . 2.2200000000000002 112.505 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.74 130.11 45.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.587 . . . . 2.0499999999999998 112.316 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 23.8 mmt -140.45 136.74 33.32 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.203 -0.908 . . . . 1.96 109.519 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.96 119.71 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.2 0.524 . . . . 1.46 112.278 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 100' ' ' SER . 4.6 t -133.83 132.8 40.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.52000000000000002 110.51 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.5 m -121.49 126.39 49.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.648 0.261 . . . . 1.23 111.472 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -138.64 136.68 36.15 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.247 -0.433 . . . . 0.95999999999999996 111.051 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 52.82 -94.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.086 -0.506 . . . . 2.52 111.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.61 -6.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.97 -0.634 . . . . 0.82999999999999996 112.133 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 82.4 mt -89.69 137.77 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 1.45 110.665 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -97.13 127.03 42.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 2.71 110.944 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.495 ' HB3' HG23 ' A' ' 93' ' ' THR . 39.6 t -121.7 120.48 34.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 1.23 111.096 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.0 t -116.2 122.97 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.58999999999999997 109.832 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.2 m -113.62 128.14 56.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.963 0.411 . . . . 0.58999999999999997 112.077 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 35.4 tt0 -96.15 122.95 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.738 -0.838 . . . . 2.1000000000000001 108.738 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -105.9 117.03 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.168 0.509 . . . . 0.82999999999999996 112.344 -178.312 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.411 ' HA ' HD22 ' A' ' 105' ' ' ASN . 1.1 t-20 -125.85 153.73 43.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.825 -0.625 . . . . 1.72 110.241 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.39 40.27 1.74 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.614 -0.803 . . . . 1.4399999999999999 112.877 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.35 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.66 0.266 . . . . 2.5499999999999998 111.357 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.5 p -141.2 145.73 36.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.817 0.342 . . . . 1.53 111.585 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.1 mt -124.2 123.25 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 1.54 110.74 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 m -112.93 139.0 48.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.44 111.072 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.44 HD21 ' H22' ' A' ' 129' ' ' OLA . 17.9 m120 -121.49 135.08 55.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.408 . . . . 1.95 110.794 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -119.53 117.5 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.56999999999999995 111.526 -179.579 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.57 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 64.0 mtt -123.64 120.6 33.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 1.51 109.833 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 97.6 m -121.42 121.93 38.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.863 0.363 . . . . 0.56000000000000005 111.395 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -132.51 116.38 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 1.8500000000000001 110.468 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.72 -77.16 0.95 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.632 -0.794 . . . . 1.8 111.734 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -155.85 4.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 2.23 111.09 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 17' ' ' PRO . 3.3 mm -89.29 137.47 21.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 111.893 0.331 . . . . 0.82999999999999996 111.893 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -105.52 120.45 56.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 1.3500000000000001 111.001 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.57 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 45.5 t80 -114.12 119.34 36.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 1.6699999999999999 110.755 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.509 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 40.3 ttpt -129.4 123.99 33.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 2.0499999999999998 110.943 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -108.21 129.42 55.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.392 . . . . 2.3199999999999998 111.023 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.69 119.81 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 0.40999999999999998 110.431 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' A' ' 7' ' ' TYR . 19.4 m -131.24 148.54 52.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 1.1399999999999999 111.385 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.408 ' NZ ' ' HG3' ' A' ' 10' ' ' GLN . 5.6 ptpp? -128.46 146.07 50.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.929 -0.578 . . . . 2.04 110.709 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -72.14 135.26 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 3.0899999999999999 111.056 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 30.4 pt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 1.3100000000000001 111.041 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' OLA . . . . . 0.606 ' H51' ' HB3' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' OLA . . . . . 0.44 ' H22' HD21 ' A' ' 111' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.732 0.301 . . . . 6.9100000000000001 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -82.33 115.35 21.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 3.46 110.919 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -143.72 -41.44 0.28 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.233 -0.44 . . . . 3.3999999999999999 110.912 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 t -102.02 136.35 42.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 1.53 111.127 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.46 151.7 9.1 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.933 -0.651 . . . . 0.54000000000000004 112.253 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HE3' HD11 ' A' ' 127' ' ' ILE . 61.9 tttp -94.54 118.86 32.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 2.3799999999999999 111.077 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -117.14 146.82 42.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.916 -0.584 . . . . 1.1299999999999999 110.248 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.656 HE22 HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -122.38 128.25 50.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.861 0.363 . . . . 1.3899999999999999 111.866 -178.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.586 HG22 ' HE ' ' A' ' 122' ' ' ARG . 47.2 t -70.76 127.87 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.945 -0.57 . . . . 1.24 109.995 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -104.45 -30.38 10.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.132 0.419 . . . . 2.2000000000000002 112.132 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.1 p -166.38 164.04 17.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.202 0.525 . . . . 1.72 111.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.504 HE22 ' H ' ' A' ' 121' ' ' LYS . 39.2 tp60 -145.58 147.62 32.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.464 -0.789 . . . . 2.0099999999999998 110.228 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -97.58 127.39 43.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.555 -0.293 . . . . 2.3900000000000001 110.747 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 67.81 145.48 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.331 -0.395 . . . . 1.8799999999999999 111.002 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -146.71 -57.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.056 0.455 . . . . 3.2599999999999998 111.347 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 42.3 mt-10 -54.21 -50.09 86.6 Favored Pre-proline 0 CA--C 1.535 0.373 0 N-CA-C 112.767 0.655 . . . . 1.96 112.767 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 51.3 Cg_endo -68.19 -42.5 5.72 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.608 1.539 . . . . 0.71999999999999997 113.62 -178.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.18 -51.81 61.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.906 0.384 . . . . 1.46 111.173 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.605 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 26.5 mmt -63.72 -43.09 97.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.931 -0.577 . . . . 4.4800000000000004 111.657 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -59.2 -41.63 88.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.749 0.309 . . . . 2.27 110.687 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.39 -22.23 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.84999999999999998 110.319 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.0 tpt -89.6 -75.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.779 -0.646 . . . . 2.0499999999999998 110.596 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.02 39.19 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.835 -0.62 . . . . 0.96999999999999997 112.302 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 14.2 tp -115.64 134.82 22.61 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.48 0.181 . . . . 1.45 110.87 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HG2' HD13 ' A' ' 28' ' ' LEU . 74.0 Cg_endo -73.93 135.64 21.57 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.632 2.222 . . . . 0.93999999999999995 112.906 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.771 ' HA ' HD12 ' A' ' 29' ' ' ILE . 45.1 mt-10 -52.07 -33.45 39.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 1.99 111.816 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.11 -48.58 79.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.663 0.268 . . . . 2.29 111.222 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HG ' ' H31' ' A' ' 128' ' ' OLA . 11.1 mp -70.62 -37.38 73.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.293 -0.412 . . . . 1.6499999999999999 111.387 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 26' ' ' GLU . 30.9 mt -60.67 -46.78 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 1.27 112.192 -178.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 29.9 mm-40 -60.4 -42.39 95.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.741 0.305 . . . . 1.4399999999999999 111.178 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -69.28 -32.37 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 2.8399999999999999 111.21 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.46 -47.22 22.78 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.849 -0.691 . . . . 0.82999999999999996 112.932 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -61.75 -31.34 71.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.763 0.316 . . . . 1.8200000000000001 111.102 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.81 -21.01 65.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 1.8899999999999999 110.669 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -111.87 123.5 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 1.28 111.015 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -59.66 114.62 2.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 2.5800000000000001 110.644 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.76 156.21 13.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.717 . . . . 0.48999999999999999 112.731 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.656 HG22 HE22 ' A' ' 8' ' ' GLN . 20.6 t -122.2 133.05 69.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.699 0.285 . . . . 0.80000000000000004 110.714 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 m -136.07 134.62 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.935 0.397 . . . . 1.3999999999999999 111.408 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -134.86 134.85 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 2.1600000000000001 110.129 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mt -123.16 119.09 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.986 0.422 . . . . 1.1599999999999999 112.127 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -108.03 114.3 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.52000000000000002 109.562 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -115.98 116.61 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.026 0.441 . . . . 1.3100000000000001 111.822 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -137.82 102.0 4.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.855 -0.611 . . . . 2.5299999999999998 110.909 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 64.72 57.59 12.12 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.887 -0.673 . . . . 1.77 113.006 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 mttp 66.78 -8.96 0.37 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.808 0.299 . . . . 3.1499999999999999 111.808 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' GLY . 79.3 tttt -91.01 108.54 19.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.02 -0.363 . . . . 2.71 110.02 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 63' ' ' PHE . 9.1 p -107.39 142.31 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.419 0.526 . . . . 1.3600000000000001 112.419 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -126.76 123.97 38.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.519 -0.764 . . . . 2.54 109.595 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD11 ' H31' ' A' ' 129' ' ' OLA . 1.7 tt -111.35 130.45 55.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.911 0.386 . . . . 1.6899999999999999 111.221 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.502 ' N ' HD23 ' A' ' 50' ' ' LEU . 49.0 m -122.44 126.78 48.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.63 110.982 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.5 mt -127.38 126.51 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.534 . . . . 1.76 110.59 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.9 m -117.12 131.03 56.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 1.0 111.796 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -120.86 109.12 14.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.904 -0.589 . . . . 4.1799999999999997 110.559 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.85 -84.74 0.11 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.699 -0.763 . . . . 2.0 112.65 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -137.19 19.14 2.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.782 0.325 . . . . 2.2000000000000002 111.107 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -115.23 123.76 49.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 2.5099999999999998 111.147 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.1 t -99.63 126.79 52.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.3799999999999999 110.733 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.8 mm -116.25 117.78 56.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 1.6000000000000001 111.049 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -106.37 140.01 39.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.003 -0.544 . . . . 2.7400000000000002 111.262 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.55 HD21 H181 ' A' ' 129' ' ' OLA . 19.2 m120 -147.63 156.68 43.04 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.244 -0.435 . . . . 1.79 110.919 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -145.61 130.29 18.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.25 -0.432 . . . . 2.0099999999999998 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.517 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -134.13 152.72 51.96 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.035 0.445 . . . . 1.6599999999999999 111.309 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.5 m -111.66 116.07 30.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.831 -0.622 . . . . 0.62 109.441 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.1 pp -48.26 146.35 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.973 0.416 . . . . 1.5700000000000001 111.736 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 56.15 26.9 50.84 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.897 -0.592 . . . . 0.80000000000000004 112.97 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -143.89 148.09 34.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.78 0.324 . . . . 2.6600000000000001 110.968 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -88.45 124.28 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 1.3200000000000001 110.84 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' HD21 ' A' ' 71' ' ' LEU . 22.2 p -125.6 157.71 36.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 1.8600000000000001 111.009 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.59 127.37 41.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 1.71 110.809 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 71' ' ' LEU . 2.8 mm? -118.01 142.99 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 1.9099999999999999 111.285 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.02 126.33 34.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.575 -0.738 . . . . 2.1099999999999999 110.726 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.6 p -80.46 175.93 10.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 1.76 111.188 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -69.82 -26.01 64.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 3.79 110.893 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.7 p -83.36 -45.23 13.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 2.23 111.252 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.61 0.58 3.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.866 -0.683 . . . . 1.47 112.19 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -79.89 142.03 35.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 1.9399999999999999 111.08 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.6 119.52 29.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 2.9399999999999999 110.778 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.3 m -116.7 150.72 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 1.0600000000000001 111.273 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -105.55 128.86 53.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 3.1299999999999999 110.597 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.39 142.35 28.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.68999999999999995 111.934 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.6 120.95 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 1.3999999999999999 110.784 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 63' ' ' PHE . 7.4 p -97.15 122.06 48.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 1.26 110.129 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -128.99 140.23 51.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.206 -0.452 . . . . 2.1099999999999999 110.808 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.86 140.25 34.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 2.6200000000000001 110.62 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -90.91 -10.18 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 2.0600000000000001 110.795 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.96 -109.14 0.72 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.82 -0.705 . . . . 1.6200000000000001 112.963 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 17.4 t70 -111.69 122.69 48.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.955 0.407 . . . . 2.8399999999999999 111.382 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 59.4 t30 74.15 -5.01 2.15 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.374 -0.83 . . . . 2.2200000000000002 112.185 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.95 131.4 45.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.232 0.539 . . . . 2.0499999999999998 112.056 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.2 ttm -141.71 130.44 22.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.395 -0.82 . . . . 1.96 109.83 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.66 118.69 59.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.19 0.519 . . . . 1.46 111.97 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.529 HG23 ' OG ' ' A' ' 100' ' ' SER . 1.2 t -134.39 142.06 47.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.679 -0.691 . . . . 0.52000000000000002 110.654 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.7 p -126.56 129.46 48.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.681 -0.236 . . . . 1.23 111.471 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -139.21 126.64 21.61 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.821 0.343 . . . . 0.95999999999999996 111.828 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HB3' HD13 ' A' ' 98' ' ' ILE . 36.9 ttpt 57.94 21.01 7.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.079 -0.509 . . . . 2.52 111.747 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 91.48 -5.36 80.42 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.647 -0.787 . . . . 0.82999999999999996 112.648 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 98' ' ' ILE . 3.6 mp -89.72 138.28 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.994 -0.373 . . . . 1.45 109.994 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -96.82 122.6 39.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.047 0.451 . . . . 2.71 111.248 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.565 ' HA ' ' O ' ' A' ' 112' ' ' THR . 4.6 p -121.62 120.12 33.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.52 -0.764 . . . . 1.23 109.879 178.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.421 HG12 ' OE1' ' A' ' 103' ' ' GLU . 33.8 t -112.78 122.46 66.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.423 . . . . 0.58999999999999997 110.921 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.0 m -114.5 129.97 56.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.974 -0.557 . . . . 0.58999999999999997 111.657 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -96.09 127.85 42.46 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.084 -0.507 . . . . 2.1000000000000001 109.642 178.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.78 115.74 30.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.223 0.535 . . . . 0.82999999999999996 112.165 -178.811 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.478 ' C ' ' H ' ' A' ' 107' ' ' ASP . 12.7 m120 -126.29 154.43 43.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.687 -0.688 . . . . 1.72 109.998 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.96 24.51 0.42 Allowed Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.528 -0.844 . . . . 1.4399999999999999 112.908 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 105' ' ' ASN . 2.8 p30 -166.72 -21.63 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.951 0.375 . . . . 2.5499999999999998 111.937 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 12.5 t -141.0 146.1 36.81 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.656 0.613 . . . . 1.53 112.656 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.38 123.39 32.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.642 -0.708 . . . . 1.54 110.5 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.3 m -115.27 139.63 49.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.44 111.321 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.442 ' ND2' ' H22' ' A' ' 129' ' ' OLA . 17.5 t-20 -115.49 132.85 56.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 1.95 110.958 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 100' ' ' SER . 2.9 m -120.04 118.96 32.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.295 -0.411 . . . . 0.56999999999999995 111.156 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.415 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 67.0 mtt -123.26 121.68 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.753 0.311 . . . . 1.51 110.504 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 35.4 m -114.53 122.87 47.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.916 0.388 . . . . 0.56000000000000005 111.627 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 115' ' ' LEU . 2.4 tm? -129.75 115.56 17.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.975 -0.557 . . . . 1.8500000000000001 109.896 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.59 -85.26 0.11 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 1.8 112.155 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -148.72 20.78 1.02 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.359 . . . . 2.23 110.494 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.1 mt -106.48 137.72 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.82999999999999996 111.326 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.8 t -105.45 123.7 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.107 0.48 . . . . 1.3500000000000001 111.438 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.429 ' HA ' HE22 ' A' ' 12' ' ' GLN . 29.5 t80 -118.3 118.8 32.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.688 -0.687 . . . . 1.6699999999999999 109.784 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.504 ' H ' HE22 ' A' ' 12' ' ' GLN . 39.2 ttpt -128.56 123.46 33.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.808 0.337 . . . . 2.0499999999999998 111.279 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.586 ' HE ' HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -105.48 125.95 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 2.3199999999999998 111.182 -179.661 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.99 118.73 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.94 -0.573 . . . . 0.40999999999999998 110.682 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 90.9 p -134.28 139.88 46.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.884 0.373 . . . . 1.1399999999999999 111.086 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.38 149.01 42.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 2.04 110.809 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -72.26 120.38 17.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 3.0899999999999999 110.994 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.404 HD11 ' HE3' ' A' ' 6' ' ' LYS . 46.2 pt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.031 -0.531 . . . . 1.3100000000000001 111.126 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' OLA . . . . . 0.494 H182 H183 ' A' ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' OLA . . . . . 0.55 H181 HD21 ' A' ' 61' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.787 0.327 . . . . 6.9100000000000001 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -101.07 130.86 47.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 3.46 110.969 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -140.23 -37.31 0.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.414 . . . . 3.3999999999999999 111.062 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.4 p -82.23 138.88 34.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 1.53 111.047 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.02 156.62 8.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.837 -0.697 . . . . 0.54000000000000004 112.313 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' HZ3' ' HB3' ' A' ' 6' ' ' LYS . 6.1 ttpm? -105.77 129.75 53.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 2.3799999999999999 110.715 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.516 ' HA ' ' O ' ' A' ' 125' ' ' LYS . 5.7 m-85 -135.53 125.27 25.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 1.1299999999999999 110.448 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.621 ' H ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -102.07 140.47 36.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.136 0.494 . . . . 1.3899999999999999 110.056 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.513 ' HB ' ' H ' ' A' ' 37' ' ' GLY . 64.6 t -68.32 143.97 14.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.541 -0.299 . . . . 1.24 110.469 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -115.91 -55.15 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.359 . . . . 2.2000000000000002 111.891 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.6 t -148.95 168.68 22.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.132 0.491 . . . . 1.72 111.619 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.518 HE22 ' HA ' ' A' ' 120' ' ' TYR . 48.5 tp60 -141.26 137.39 32.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.68 -0.691 . . . . 2.0099999999999998 110.732 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' HB3' ' A' ' 121' ' ' LYS . 12.0 pt-20 -103.91 140.64 37.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.384 -0.371 . . . . 2.3900000000000001 110.839 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.34 78.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.5 -0.318 . . . . 1.8799999999999999 110.651 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -109.56 -39.01 5.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.275 -0.42 . . . . 3.2599999999999998 110.83 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 19' ' ' MET . 43.2 mt-10 -51.14 -46.85 88.76 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.108 -0.497 . . . . 1.96 111.799 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 57.7 Cg_endo -71.81 -34.09 9.27 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.579 1.519 . . . . 0.71999999999999997 111.504 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.7 -52.03 66.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.639 -0.71 . . . . 1.46 110.941 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.733 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.92 -37.12 75.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 4.4800000000000004 111.033 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HG3' ' HE3' ' A' ' 19' ' ' MET . 65.0 mttm -64.34 -44.04 92.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 2.27 111.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.41 -69.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.84999999999999998 111.599 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.9 tpt -50.35 -25.92 4.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.664 . . . . 2.0499999999999998 111.715 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.38 8.02 47.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.638 -0.792 . . . . 0.96999999999999997 111.891 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.856 HD12 ' HD2' ' A' ' 25' ' ' PRO . 2.8 tp -75.32 142.57 75.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.364 . . . . 1.45 110.362 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.856 ' HD2' HD12 ' A' ' 24' ' ' LEU . 67.8 Cg_endo -78.45 132.06 10.93 Favored 'Trans proline' 0 N--CA 1.474 0.345 0 C-N-CA 123.242 2.628 . . . . 0.93999999999999995 113.114 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 12.9 pt-20 -54.32 -28.08 40.14 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.429 -0.351 . . . . 1.99 110.506 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.0 -47.17 83.81 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.241 -0.436 . . . . 2.29 110.325 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 3.4 mm? -63.22 -35.9 81.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.6499999999999999 110.132 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.642 HD11 ' HB3' ' A' ' 19' ' ' MET . 13.0 mt -57.52 -48.4 83.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.994 -0.548 . . . . 1.27 110.727 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 62.8 mm-40 -58.89 -43.92 91.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 1.4399999999999999 111.156 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -69.35 -31.57 70.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 2.8399999999999999 111.572 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.32 -23.83 46.27 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.818 -0.706 . . . . 0.82999999999999996 113.728 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 22.3 ptmt -77.48 -34.6 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.248 0.524 . . . . 1.8200000000000001 111.613 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.1 -14.04 56.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.538 -0.301 . . . . 1.8899999999999999 111.415 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.8 mm -114.04 136.94 48.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 1.28 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -78.33 145.69 35.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 2.5800000000000001 109.988 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.577 ' O ' ' HB2' ' A' ' 8' ' ' GLN . . . -95.61 171.97 29.59 Favored Glycine 0 C--O 1.223 -0.589 0 C-N-CA 120.308 -0.948 . . . . 0.48999999999999999 111.306 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 t -134.96 132.2 53.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 117.336 0.568 . . . . 0.80000000000000004 110.969 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 t -136.35 140.25 43.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.546 . . . . 1.3999999999999999 110.869 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -135.32 126.73 28.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.087 -0.506 . . . . 2.1600000000000001 110.124 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mt -112.54 119.49 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 1.1599999999999999 111.791 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.24 114.24 45.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 0.52000000000000002 109.93 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -98.99 115.69 29.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.102 0.477 . . . . 1.3100000000000001 111.45 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -137.51 101.44 4.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 2.5299999999999998 110.515 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.85 -117.73 8.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.718 -0.753 . . . . 1.77 112.375 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -105.8 -12.23 15.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.306 . . . . 3.1499999999999999 110.933 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -100.86 130.61 46.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.931 0.396 . . . . 2.71 110.948 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.99 126.36 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 1.3600000000000001 111.094 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -94.43 123.89 38.12 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.261 -0.427 . . . . 2.54 110.598 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.5 tp -114.63 123.8 50.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 1.6899999999999999 110.913 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 62.7 m -125.33 126.96 45.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.63 111.266 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.65 129.03 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 1.76 110.243 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.4 m -118.92 130.3 55.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.029 0.442 . . . . 1.0 111.9 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -121.47 109.18 14.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.736 -0.665 . . . . 4.1799999999999997 110.378 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.68 -82.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.674 -0.774 . . . . 2.0 112.31 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 t -142.69 16.22 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 2.2000000000000002 111.324 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.456 ' HE3' HD11 ' A' ' 59' ' ' ILE . 42.7 tttp -108.19 127.84 54.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 2.5099999999999998 110.792 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.8 t -99.3 126.32 52.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 1.3799999999999999 110.97 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.456 HD11 ' HE3' ' A' ' 57' ' ' LYS . 49.6 mm -113.85 116.23 52.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.985 -0.552 . . . . 1.6000000000000001 110.565 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -116.42 135.44 53.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.316 -0.402 . . . . 2.7400000000000002 111.229 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -148.28 161.64 41.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.83 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -144.96 139.0 27.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.242 -0.435 . . . . 2.0099999999999998 110.669 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -148.44 151.4 35.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.958 0.409 . . . . 1.6599999999999999 111.731 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.0 m -99.76 131.15 45.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.814 -0.63 . . . . 0.62 110.831 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.12 119.25 16.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 1.5700000000000001 110.97 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.76 -10.66 62.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.874 -0.679 . . . . 0.80000000000000004 112.679 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -123.19 157.83 32.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 2.6600000000000001 110.961 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 36.4 tt0 -86.84 119.2 26.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 1.3200000000000001 110.619 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.5 t -111.58 157.21 20.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 1.8600000000000001 110.609 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' C ' HD22 ' A' ' 71' ' ' LEU . 34.7 tt0 -98.49 120.55 39.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 1.71 110.876 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 71' ' ' LEU . 3.3 mm? -116.46 134.16 55.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.136 0.493 . . . . 1.9099999999999999 110.953 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 78' ' ' LYS . 6.1 tt0 -85.66 124.28 32.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.717 -0.674 . . . . 2.1099999999999999 110.483 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -73.47 170.87 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.76 111.257 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.0 ttt -60.87 -32.2 71.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 3.79 110.895 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.0 p -62.55 -45.58 92.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 2.23 111.084 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.84 -13.42 4.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.988 -0.625 . . . . 1.47 111.896 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -89.28 124.99 34.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.785 0.326 . . . . 1.9399999999999999 110.759 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -84.79 141.29 30.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.126 -0.488 . . . . 2.9399999999999999 111.363 179.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.3 m -129.87 159.86 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 1.0600000000000001 111.033 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -94.38 128.79 41.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 3.1299999999999999 111.09 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -144.71 141.89 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.853 -0.612 . . . . 0.68999999999999995 110.892 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 5.3 p -114.02 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.085 0.469 . . . . 1.3999999999999999 111.219 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.23 122.88 64.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.77 -0.65 . . . . 1.26 110.619 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -130.17 151.71 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 2.1099999999999999 111.01 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.28 143.39 26.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 2.6200000000000001 110.359 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -101.33 -21.08 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 2.0600000000000001 111.191 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.24 -103.7 0.34 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.383 -0.913 . . . . 1.6200000000000001 113.657 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 17.2 t70 -106.47 121.35 44.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 2.8399999999999999 111.684 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.592 ' HB3' HD21 ' A' ' 105' ' ' ASN . 0.3 OUTLIER 57.94 13.82 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.984 -0.553 . . . . 2.2200000000000002 112.311 178.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 12.8 mmtt -135.16 126.04 27.5 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.278 -0.569 . . . . 2.0499999999999998 112.445 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 43.4 mtt -141.78 131.4 24.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.452 -0.794 . . . . 1.96 110.204 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.4 p -114.23 119.6 61.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.199 0.524 . . . . 1.46 112.052 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 100' ' ' SER . 2.8 t -133.99 126.79 30.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.654 -0.703 . . . . 0.52000000000000002 110.38 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.6 m -125.61 137.21 53.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.838 0.351 . . . . 1.23 111.713 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -138.71 129.31 26.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.042 -0.526 . . . . 0.95999999999999996 110.919 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 60.66 -87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.044 -0.525 . . . . 2.52 111.341 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.88 21.82 0.9 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.787 -0.72 . . . . 0.82999999999999996 112.482 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 93.8 mt -110.14 138.73 36.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.687 0.279 . . . . 1.45 110.683 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -95.62 118.68 32.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 2.71 110.734 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.574 ' HB3' HG23 ' A' ' 93' ' ' THR . 44.7 t -121.47 120.43 34.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.1 -0.5 . . . . 1.23 110.906 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 52.4 t -123.83 122.3 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.58999999999999997 110.448 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.8 m -114.49 129.98 56.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.58999999999999997 111.655 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 21.7 tt0 -96.01 120.74 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.944 -0.762 . . . . 2.1000000000000001 108.944 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.588 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -98.47 115.76 29.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.269 0.84 . . . . 0.82999999999999996 113.269 -177.448 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.592 HD21 ' HB3' ' A' ' 89' ' ' ASN . 9.7 m120 -126.2 153.11 45.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.404 -0.816 . . . . 1.72 109.774 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.98 20.42 6.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.325 -0.94 . . . . 1.4399999999999999 112.555 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -148.79 -34.98 0.2 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.625 0.231 . . . . 2.5499999999999998 111.625 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 66.8 m -140.89 126.05 18.46 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.943 0.402 . . . . 1.53 111.514 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.532 HD13 ' H ' ' A' ' 105' ' ' ASN . 40.9 mm -108.27 121.66 61.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.064 -0.516 . . . . 1.54 110.993 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.5 m -115.32 137.89 51.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.44 111.484 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 121' ' ' LYS . 29.2 m-80 -120.95 135.69 55.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 1.95 110.43 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 100' ' ' SER . 3.7 m -120.1 116.54 25.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.56999999999999995 111.614 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.555 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 57.6 mtt -124.82 120.43 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 1.51 109.93 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 45.5 m -120.53 120.9 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.56000000000000005 111.814 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 115' ' ' LEU . 1.5 pt? -145.18 116.08 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.696 -0.683 . . . . 1.8500000000000001 110.453 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 70.16 45.38 56.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.64 -0.79 . . . . 1.8 112.53 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.5 t70 66.31 3.58 2.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.64 0.257 . . . . 2.23 111.615 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 21.3 mt -87.28 137.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.82999999999999996 111.139 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.3 t -109.28 117.7 55.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 1.3500000000000001 111.298 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.555 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 31.1 t80 -113.26 119.23 37.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 1.6699999999999999 110.091 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.47 ' HB3' ' HG2' ' A' ' 13' ' ' GLU . 40.8 ttmt -129.09 123.48 32.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 2.0499999999999998 111.209 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -106.05 122.95 47.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 2.3199999999999998 110.897 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.2 t -106.21 118.82 54.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.40999999999999998 110.537 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.9 p -127.4 147.32 50.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.203 -0.453 . . . . 1.1399999999999999 110.603 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.58 ' H ' ' NE2' ' A' ' 8' ' ' GLN . 24.0 mtpp -106.23 148.63 27.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.351 . . . . 2.04 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -86.98 119.66 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.381 -0.372 . . . . 3.0899999999999999 110.251 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 8.6 pt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 1.3100000000000001 111.151 -179.844 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.82 0.343 . . . . 6.9100000000000001 110.776 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.67 HD21 ' HA ' ' A' ' 88' ' ' ASP . 4.8 p30 -97.92 115.22 27.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 3.46 111.028 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -176.32 125.77 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 3.3999999999999999 110.342 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.536 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 38.6 t 70.35 146.23 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.614 -0.721 . . . . 1.53 111.19 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.28 166.19 14.3 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.724 -0.671 . . . . 0.54000000000000004 112.134 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HG2' ' HG2' ' A' ' 40' ' ' GLU . 12.7 tmtt? -99.87 131.86 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 2.3799999999999999 110.475 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.61 150.14 50.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 1.1299999999999999 110.142 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.561 HE22 HG22 ' A' ' 38' ' ' VAL . 5.7 tp60 -118.55 114.58 23.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.901 0.334 . . . . 1.3899999999999999 111.901 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 122' ' ' ARG . 49.0 t -69.54 117.4 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.478 -0.564 . . . . 1.24 109.478 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' NE2' ' HE3' ' A' ' 125' ' ' LYS . 84.5 mt-30 -89.43 -63.07 1.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.882 0.327 . . . . 2.2000000000000002 111.882 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -147.18 168.19 22.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.371 . . . . 1.72 111.439 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.553 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 13.7 tm0? -145.28 134.57 22.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.955 -0.566 . . . . 2.0099999999999998 110.724 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 12.9 pt-20 -106.06 151.62 24.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 2.3900000000000001 110.722 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.757 HD22 HG22 ' A' ' 118' ' ' ILE . 0.7 OUTLIER 92.24 18.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.108 0.88 . . . . 1.8799999999999999 111.35 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.52 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.6 OUTLIER -64.69 -49.24 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.431 -0.349 . . . . 3.2599999999999998 111.845 -179.591 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 19' ' ' MET . 46.8 mt-10 -54.76 -50.71 84.34 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.271 0.471 . . . . 1.96 112.271 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 55.9 Cg_endo -71.81 -40.48 2.7 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 121.917 1.745 . . . . 0.71999999999999997 113.178 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -64.37 -41.04 96.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.774 0.321 . . . . 1.46 111.48 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.736 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.74 -37.92 89.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 4.4800000000000004 111.468 -179.512 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -70.52 -43.92 68.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.779 0.324 . . . . 2.27 110.785 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -69.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.84999999999999998 111.647 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.0 tpp -51.91 -47.48 64.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.701 -0.681 . . . . 2.0499999999999998 111.759 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.03 6.07 3.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.232 -0.985 . . . . 0.96999999999999997 112.737 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.736 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 26.0 tp -74.77 144.13 79.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.242 -0.651 . . . . 1.45 109.242 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.598 ' HG2' HD13 ' A' ' 28' ' ' LEU . 3.8 Cg_endo -95.28 136.77 0.73 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.341 2.694 . . . . 0.93999999999999995 112.11 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.486 ' HG2' HE22 ' A' ' 30' ' ' GLN . 2.6 mt-10 -51.53 -30.67 21.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 1.99 110.673 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -54.38 -43.91 71.8 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.291 -0.633 . . . . 2.29 109.291 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.0 mp -69.69 -35.24 74.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.413 -0.812 . . . . 1.6499999999999999 110.06 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 19' ' ' MET . 38.0 mt -58.3 -48.72 84.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-N 115.943 -0.571 . . . . 1.27 111.493 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.486 HE22 ' HG2' ' A' ' 26' ' ' GLU . 1.7 mp0 -63.26 -41.32 99.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 1.4399999999999999 111.41 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -69.5 -31.52 69.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.434 -0.348 . . . . 2.8399999999999999 111.157 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.32 -37.4 24.52 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 121.033 -0.603 . . . . 0.82999999999999996 113.625 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -62.38 -25.66 68.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.075 0.437 . . . . 1.8200000000000001 111.061 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -89.89 -25.22 21.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.412 -0.358 . . . . 1.8899999999999999 110.868 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.7 mm -102.43 116.67 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 1.28 111.221 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -80.28 107.47 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.394 . . . . 2.5800000000000001 110.593 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.41 164.59 6.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.879 -0.677 . . . . 0.48999999999999999 112.758 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.561 HG22 HE22 ' A' ' 8' ' ' GLN . 12.1 t -122.0 138.91 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 0.80000000000000004 110.469 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m -127.16 123.42 36.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.039 0.447 . . . . 1.3999999999999999 111.495 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' A' ' 6' ' ' LYS . 37.5 mt-10 -134.21 124.73 26.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.69 -0.686 . . . . 2.1600000000000001 109.659 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.409 HG12 ' HG ' ' A' ' 50' ' ' LEU . 7.3 mt -125.85 127.5 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 1.1599999999999999 111.912 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 t -106.98 114.79 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.52000000000000002 110.046 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.536 ' H ' ' HB2' ' A' ' 4' ' ' SER . 7.4 t60 -105.49 116.86 32.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.906 0.384 . . . . 1.3100000000000001 111.142 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -137.71 101.74 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.935 -0.575 . . . . 2.5299999999999998 110.508 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.56 -100.01 0.51 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.799 -0.715 . . . . 1.77 112.285 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -120.68 -13.07 8.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.83 0.348 . . . . 3.1499999999999999 110.67 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -93.45 114.3 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 2.71 110.667 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.3 t -120.72 124.37 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 1.3600000000000001 111.383 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -101.49 130.08 47.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.54 . . . . 2.54 110.673 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HG ' HG12 ' A' ' 41' ' ' ILE . 5.0 tt -120.81 121.55 38.39 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.936 -0.394 . . . . 1.6899999999999999 109.936 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.8 m -127.58 126.71 42.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.63 111.708 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.0 mm -108.7 123.16 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 1.76 109.696 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.487 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 57.7 m -103.6 130.57 51.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 1.0 111.655 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.483 ' C ' ' H ' ' A' ' 56' ' ' SER . 57.7 t80 -120.77 156.67 31.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.463 -0.789 . . . . 4.1799999999999997 109.686 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.54 22.33 0.3 Allowed Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.661 -0.78 . . . . 2.0 113.109 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 54' ' ' TYR . 48.0 t -157.4 -45.41 0.07 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.912 0.356 . . . . 2.2000000000000002 111.515 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -130.13 133.16 46.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.149 0.5 . . . . 2.5099999999999998 112.212 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.33 139.26 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.724 -0.671 . . . . 1.3799999999999999 110.395 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.0 mt -123.57 124.6 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.963 0.411 . . . . 1.6000000000000001 111.66 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -116.88 139.75 50.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.94 -0.573 . . . . 2.7400000000000002 110.508 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -138.62 162.1 35.46 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.088 0.47 . . . . 1.79 111.567 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -143.88 126.81 16.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.774 -0.648 . . . . 2.0099999999999998 110.442 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -149.41 151.36 33.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 1.6599999999999999 111.463 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.9 m -113.33 129.14 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.747 -0.66 . . . . 0.62 110.594 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.16 135.72 25.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 1.5700000000000001 111.079 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.53 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 61.34 53.34 45.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.80000000000000004 112.404 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -163.72 144.27 8.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.893 0.377 . . . . 2.6600000000000001 111.205 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -82.68 122.53 28.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.55 . . . . 1.3200000000000001 110.359 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 79.9 m -123.48 152.25 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.364 . . . . 1.8600000000000001 111.112 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -98.52 120.38 38.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 1.71 110.833 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.448 HD22 ' H10' ' A' ' 129' ' ' OLA . 56.5 tp -120.25 145.91 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.9099999999999999 110.9 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -85.45 123.79 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 2.1099999999999999 110.997 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 p -83.58 166.08 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 1.76 111.027 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -69.38 -12.73 61.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 3.79 110.815 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -81.47 -30.64 33.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 2.23 110.844 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.36 8.55 23.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.951 -0.642 . . . . 1.47 112.344 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -107.91 143.09 37.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.867 0.365 . . . . 1.9399999999999999 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -85.24 125.14 32.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 2.9399999999999999 111.046 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.11 146.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 1.0600000000000001 111.044 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -105.01 135.72 45.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 3.1299999999999999 110.799 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.57 142.52 28.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.266 -0.425 . . . . 0.68999999999999995 111.677 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 t -97.6 121.78 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.854 -0.612 . . . . 1.3999999999999999 110.585 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 p -106.24 120.51 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.26 111.252 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.53 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 33.7 mtmm -134.81 152.09 51.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.066 -0.516 . . . . 2.1099999999999999 110.999 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.66 141.19 34.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 2.6200000000000001 110.64 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' H ' ' HA ' ' A' ' 91' ' ' MET . 11.3 tp10 -89.58 -20.63 23.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 2.0600000000000001 110.844 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.51 -104.79 0.55 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.583 -0.818 . . . . 1.6200000000000001 113.468 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.67 ' HA ' HD21 ' A' ' 2' ' ' ASN . 7.4 m-20 -96.62 126.99 42.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.389 . . . . 2.8399999999999999 111.617 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 2.4 p-10 49.67 12.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.101 -0.954 . . . . 2.2200000000000002 112.714 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -137.84 128.96 27.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.17 0.509 . . . . 2.0499999999999998 112.163 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.422 ' HA ' ' H ' ' A' ' 86' ' ' GLU . 58.4 mtt -141.76 133.02 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.26 -0.882 . . . . 1.96 109.504 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.12 119.04 59.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.888 0.699 . . . . 1.46 112.888 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.524 HG23 ' HB3' ' A' ' 100' ' ' SER . 2.3 t -134.15 127.2 31.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.309 -0.86 . . . . 0.52000000000000002 109.77 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.9 m -120.73 128.9 53.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.01 0.433 . . . . 1.23 112.054 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.459 ' HE1' ' HB2' ' A' ' 100' ' ' SER . 32.4 p90 -138.32 127.04 23.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.703 -0.68 . . . . 0.95999999999999996 110.197 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 52.54 -155.23 0.18 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.503 -0.317 . . . . 2.52 110.533 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.0 28.26 3.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.657 -0.783 . . . . 0.82999999999999996 112.54 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.457 HG13 HD13 ' A' ' 115' ' ' LEU . 4.7 mp -121.51 137.95 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.698 0.285 . . . . 1.45 110.978 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -97.17 127.25 42.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.328 -0.396 . . . . 2.71 110.717 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.524 ' HB3' HG23 ' A' ' 93' ' ' THR . 46.2 t -121.76 121.06 36.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 1.23 111.127 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.81 122.11 56.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.58999999999999997 110.262 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 88.5 m -114.42 131.2 56.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.58999999999999997 111.758 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -96.25 127.27 42.11 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.175 -0.676 . . . . 2.1000000000000001 109.175 178.574 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.11 116.55 31.75 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.874 0.694 . . . . 0.82999999999999996 112.874 -178.222 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.442 ' HA ' HD22 ' A' ' 105' ' ' ASN . 6.6 m120 -125.08 153.82 42.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.666 -0.697 . . . . 1.72 109.964 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.48 30.57 0.85 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.641 -0.79 . . . . 1.4399999999999999 113.02 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 105' ' ' ASN . 4.0 p30 -169.23 -20.38 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.905 0.352 . . . . 2.5499999999999998 111.711 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -140.95 145.23 35.76 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.258 0.466 . . . . 1.53 112.258 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.4 mm -132.48 120.54 42.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.813 -0.631 . . . . 1.54 110.839 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.1 m -116.19 137.17 52.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.23 -0.441 . . . . 0.44 111.577 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.507 ' HB3' ' HB3' ' A' ' 122' ' ' ARG . 2.8 t-20 -113.3 131.84 55.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.326 -0.397 . . . . 1.95 110.379 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 100' ' ' SER . 4.4 m -120.4 116.76 26.12 Favored 'General case' 0 N--CA 1.461 0.081 0 N-CA-C 112.551 0.575 . . . . 0.56999999999999995 112.551 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.515 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 65.8 mtm -125.44 120.84 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 1.51 109.691 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.0 m -121.62 125.1 45.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.56000000000000005 111.952 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.457 HD13 HG13 ' A' ' 98' ' ' ILE . 50.2 tp -135.16 115.54 13.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.953 -0.567 . . . . 1.8500000000000001 110.424 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.28 -73.97 2.28 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.737 -0.744 . . . . 1.8 112.304 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -164.23 16.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.067 0.46 . . . . 2.23 110.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.757 HG22 HD22 ' A' ' 14' ' ' ASN . 3.5 mt -105.22 137.54 34.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.935 -0.575 . . . . 0.82999999999999996 111.085 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.7 t -108.94 117.43 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.102 0.477 . . . . 1.3500000000000001 111.607 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.515 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 29.1 t80 -101.86 119.8 39.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.405 -0.816 . . . . 1.6699999999999999 110.071 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.553 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 53.5 mtmt -128.04 124.36 36.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.536 -0.302 . . . . 2.0499999999999998 111.741 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 23.4 ttm180 -105.74 124.74 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 2.3199999999999998 110.368 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 40.3 t -103.29 120.32 53.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.40999999999999998 110.819 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 49.7 m -133.23 139.43 46.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 1.1399999999999999 111.252 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.455 ' HE3' ' NE2' ' A' ' 10' ' ' GLN . 13.8 ptpt -106.91 141.1 38.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.061 -0.518 . . . . 2.04 110.814 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -79.71 122.79 27.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 3.0899999999999999 110.667 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 42.0 pt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.3100000000000001 111.202 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' OLA . . . . . 0.448 ' H10' HD22 ' A' ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.772 0.32 . . . . 6.9100000000000001 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -74.27 129.51 37.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 3.46 110.424 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -63.09 -16.32 59.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 3.3999999999999999 111.738 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.428 ' OG ' ' HB3' ' A' ' 43' ' ' HIS . 26.8 m 50.61 -150.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.704 0.288 . . . . 1.53 110.518 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.22 169.82 24.96 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.9 -0.667 . . . . 0.54000000000000004 112.945 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmmm? -105.11 126.51 52.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.841 0.353 . . . . 2.3799999999999999 110.661 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.422 ' HB3' ' HB3' ' A' ' 124' ' ' SER . 31.0 m-85 -113.35 150.75 32.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 1.1299999999999999 110.962 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.644 HE22 HG22 ' A' ' 38' ' ' VAL . 7.6 tp-100 -122.27 126.07 47.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 1.3899999999999999 111.251 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.611 HG22 ' HD2' ' A' ' 122' ' ' ARG . 41.2 t -69.53 143.53 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 1.24 110.052 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -113.93 -41.64 3.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.573 -0.285 . . . . 2.2000000000000002 111.766 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -169.62 168.78 9.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.989 0.423 . . . . 1.72 111.442 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.523 HE22 ' HA ' ' A' ' 120' ' ' TYR . 37.8 tp60 -144.61 133.62 22.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.91 -0.587 . . . . 2.0099999999999998 110.845 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -98.38 139.55 33.98 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.441 -0.345 . . . . 2.3900000000000001 110.774 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 58.94 94.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.483 -0.326 . . . . 1.8799999999999999 110.88 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.83 -40.03 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.489 -0.323 . . . . 3.2599999999999998 111.101 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 13.9 mm-40 -52.67 -48.45 90.65 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 112.443 0.534 . . . . 1.96 112.443 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 43.9 Cg_endo -68.75 -40.23 7.5 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 121.651 1.567 . . . . 0.71999999999999997 112.461 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.48 -50.89 65.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 1.46 111.463 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.666 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.94 -38.47 76.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.385 -0.371 . . . . 4.4800000000000004 111.454 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 70.5 mttt -65.5 -40.87 93.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.378 . . . . 2.27 110.774 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.74 -12.87 61.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.84999999999999998 111.145 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.2 tpp -104.74 -75.56 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 2.0499999999999998 110.828 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 8.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.971 -0.633 . . . . 0.96999999999999997 112.188 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.709 HD11 HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -83.11 118.27 71.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 110.481 -0.192 . . . . 1.45 110.481 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.61 ' HD2' HD13 ' A' ' 24' ' ' LEU . 42.3 Cg_endo -66.46 133.27 31.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.361 2.04 . . . . 0.93999999999999995 112.3 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -50.79 -31.19 16.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.846 -0.616 . . . . 1.99 112.117 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' ' 25' ' ' PRO . 1.9 p30 -62.99 -42.19 99.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.656 0.265 . . . . 2.29 111.219 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.709 HD22 HD11 ' A' ' 24' ' ' LEU . 8.1 tt -68.27 -39.28 82.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.367 . . . . 1.6499999999999999 111.244 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 25' ' ' PRO . 2.8 mp -60.15 -41.23 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.455 -0.339 . . . . 1.27 111.563 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 29.5 mm-40 -53.85 -47.03 71.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 1.4399999999999999 110.931 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.1 -31.98 71.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 2.8399999999999999 110.71 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.28 -53.65 20.63 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.992 -0.623 . . . . 0.82999999999999996 113.225 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -56.16 -31.35 63.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 1.8200000000000001 111.389 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -66.2 -26.8 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.8899999999999999 110.832 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.5 mt -113.18 117.01 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 1.28 111.175 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.36 125.34 23.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 2.5800000000000001 110.712 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.41 155.14 52.88 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.005 -0.617 . . . . 0.48999999999999999 112.7 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.644 HG22 HE22 ' A' ' 8' ' ' GLN . 3.9 t -122.27 133.5 68.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.31 -0.256 . . . . 0.80000000000000004 110.31 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -135.09 144.98 47.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.961 0.41 . . . . 1.3999999999999999 111.799 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -134.8 141.78 46.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 2.1600000000000001 110.078 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 4' ' ' SER . 28.0 mm -122.21 117.71 53.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.828 0.347 . . . . 1.1599999999999999 111.771 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 85.1 t -109.7 114.55 47.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.52000000000000002 110.418 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.428 ' HB3' ' OG ' ' A' ' 4' ' ' SER . 20.7 t-80 -105.06 115.7 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 1.3100000000000001 110.956 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -138.4 106.33 5.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.07 -0.514 . . . . 2.5299999999999998 111.529 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 50.52 62.25 5.32 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.14 -0.552 . . . . 1.77 113.488 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 68.31 -17.56 0.17 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.321 0.489 . . . . 3.1499999999999999 112.321 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 45' ' ' GLY . 56.3 mtpt -91.54 108.25 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 2.71 110.508 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 61.0 t -109.19 127.49 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 1.3600000000000001 111.298 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HG2' ' HB3' ' A' ' 62' ' ' GLU . 97.0 mttt -103.03 137.88 40.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 2.54 110.941 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.0 tp -111.09 123.86 51.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 1.6899999999999999 110.738 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.0 m -123.28 126.21 46.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.878 0.371 . . . . 0.63 111.024 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mt -131.4 130.39 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 1.76 110.736 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -120.02 129.9 54.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.368 . . . . 1.0 111.548 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' HB3' ' H51' ' A' ' 128' ' ' OLA . 55.4 m-85 -121.66 109.02 14.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.926 -0.579 . . . . 4.1799999999999997 110.62 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.94 -85.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.565 -0.826 . . . . 2.0 112.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.1 p -136.37 13.84 3.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.567 0.222 . . . . 2.2000000000000002 111.326 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' HD3' HD11 ' A' ' 59' ' ' ILE . 38.1 ttmt -109.54 121.57 45.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 2.5099999999999998 111.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.12 126.69 52.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.103 0.478 . . . . 1.3799999999999999 110.709 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.447 HD11 ' HD3' ' A' ' 57' ' ' LYS . 50.7 mm -115.57 116.38 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 1.6000000000000001 110.659 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -116.95 130.05 56.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.171 -0.468 . . . . 2.7400000000000002 111.534 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -138.82 161.13 38.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 1.79 110.529 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 10.2 pt-20 -143.53 140.54 30.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 2.0099999999999998 111.054 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -148.7 145.19 27.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 1.6599999999999999 111.419 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.501 ' HB ' ' HB2' ' A' ' 67' ' ' GLU . 53.6 m -104.68 131.12 52.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.898 -0.592 . . . . 0.62 110.853 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD13 ' HG2' ' A' ' 85' ' ' MET . 97.9 mt -55.57 139.46 44.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 1.5700000000000001 111.11 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.516 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 56.76 27.84 56.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.025 -0.607 . . . . 0.80000000000000004 112.695 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 11.3 mm-40 -141.65 138.15 32.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.946 0.403 . . . . 2.6600000000000001 110.979 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 41.3 tt0 -86.6 120.5 27.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 1.3200000000000001 110.496 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.9 t -115.92 157.27 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 1.8600000000000001 111.137 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.21 122.41 39.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 1.71 110.566 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tt -117.7 143.69 45.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 1.9099999999999999 110.941 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -86.33 121.88 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 2.1099999999999999 110.718 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 74' ' ' MET . 1.5 m -87.47 164.68 16.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 1.76 111.126 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.407 ' H ' HG22 ' A' ' 73' ' ' THR . 51.2 ttm -69.25 -24.62 64.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 3.79 110.674 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -66.04 -13.22 59.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.895 -0.593 . . . . 2.23 111.249 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.34 -20.44 46.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.823 -0.703 . . . . 1.47 112.263 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -96.44 145.61 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.333 . . . . 1.9399999999999999 111.07 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -84.7 141.37 30.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 2.9399999999999999 111.416 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.76 134.07 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 1.0600000000000001 111.013 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -90.79 136.72 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.978 0.418 . . . . 3.1299999999999999 111.184 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.44 142.52 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.68999999999999995 111.57 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 6.8 p -110.32 123.4 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 1.3999999999999999 110.591 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.495 HG23 ' HB ' ' A' ' 93' ' ' THR . 7.2 p -108.65 133.27 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 1.26 110.908 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.516 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 70.0 mttt -131.91 152.09 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 2.1099999999999999 110.939 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.585 ' HG2' HD13 ' A' ' 65' ' ' LEU . 4.9 ppp? -106.34 142.25 36.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 2.6200000000000001 111.104 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -102.29 -11.88 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.918 -0.583 . . . . 2.0600000000000001 110.357 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.92 -127.68 5.24 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.589 -0.732 . . . . 1.6200000000000001 112.64 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 14.2 m-20 -101.04 128.39 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.881 0.372 . . . . 2.8399999999999999 110.906 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 1.5 m-20 79.6 -7.71 1.67 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.046 -0.979 . . . . 2.2200000000000002 112.51 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 128.76 39.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.579 0.585 . . . . 2.0499999999999998 112.579 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.1 mmt -141.62 136.97 31.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.266 -0.879 . . . . 1.96 109.86 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.4 p -129.72 121.41 52.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.223 0.535 . . . . 1.46 112.013 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 100' ' ' SER . 4.6 t -133.36 135.68 44.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.625 -0.716 . . . . 0.52000000000000002 110.386 179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.8 p -125.21 129.17 49.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.864 0.364 . . . . 1.23 111.652 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -138.79 127.5 23.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.95999999999999996 110.915 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? 61.85 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 2.52 111.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -157.7 8.78 0.21 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.691 -0.766 . . . . 0.82999999999999996 112.554 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.578 HG12 HD13 ' A' ' 115' ' ' LEU . 79.2 mt -101.01 137.8 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.746 0.308 . . . . 1.45 111.064 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -97.84 121.63 39.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 2.71 110.701 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.561 ' HB2' HG23 ' A' ' 93' ' ' THR . 68.9 m -120.36 120.51 36.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 1.23 110.773 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 56.0 t -121.13 122.55 67.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.58999999999999997 110.341 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 m -114.24 130.57 56.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.1 -0.5 . . . . 0.58999999999999997 111.71 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 41.4 tt0 -96.32 121.81 38.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.813 -0.63 . . . . 2.1000000000000001 109.332 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -101.4 116.11 32.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.18 0.514 . . . . 0.82999999999999996 112.126 -178.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 108' ' ' THR . 9.7 m120 -125.69 154.16 42.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.634 -0.712 . . . . 1.72 110.027 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.43 36.77 1.79 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.389 -0.91 . . . . 1.4399999999999999 112.858 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -171.33 -36.82 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 111.972 0.36 . . . . 2.5499999999999998 111.972 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 62.8 m -140.7 127.07 19.89 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.37 0.507 . . . . 1.53 112.37 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 108' ' ' THR . 1.7 mp -112.41 129.57 67.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.114 -0.494 . . . . 1.54 110.809 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 89.8 m -115.28 140.03 49.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.44 111.322 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.612 HD21 ' HG3' ' A' ' 113' ' ' MET . 8.4 t30 -114.03 132.34 56.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 1.95 110.573 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 100' ' ' SER . 1.6 m -118.98 117.13 27.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.818 0.342 . . . . 0.56999999999999995 111.758 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.612 ' HG3' HD21 ' A' ' 111' ' ' ASN . 61.6 mtt -124.64 121.31 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 1.51 110.212 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.5 m -119.5 121.97 40.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.56000000000000005 111.911 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.578 HD13 HG12 ' A' ' 98' ' ' ILE . 62.6 tp -143.78 115.44 8.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 1.8500000000000001 110.504 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.14 45.24 72.68 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.811 -0.709 . . . . 1.8 112.558 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 65.02 5.89 3.18 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.551 0.215 . . . . 2.23 111.526 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.6 mt -90.16 136.25 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.705 0.288 . . . . 0.82999999999999996 110.737 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -101.08 136.88 30.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.217 0.532 . . . . 1.3500000000000001 111.857 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.523 ' HA ' HE22 ' A' ' 12' ' ' GLN . 31.5 t80 -132.44 119.29 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.512 -0.767 . . . . 1.6699999999999999 109.833 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.459 ' H ' HE22 ' A' ' 12' ' ' GLN . 39.1 ttpt -128.94 122.91 31.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.731 0.301 . . . . 2.0499999999999998 111.383 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.611 ' HD2' HG22 ' A' ' 9' ' ' VAL . 42.8 ttp180 -103.04 132.65 49.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 2.3199999999999998 110.693 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.4 t -102.46 119.12 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.40999999999999998 110.296 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 13.8 m -133.02 141.75 48.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 1.1399999999999999 111.371 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 149.07 41.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.862 -0.608 . . . . 2.04 110.708 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -82.16 129.09 34.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 3.0899999999999999 110.886 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.4 pt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 1.3100000000000001 111.104 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' OLA . . . . . 0.423 ' H51' ' HB3' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtm . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.689 0.28 . . . . 6.9100000000000001 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -93.56 123.97 37.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 3.46 110.825 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -142.05 -37.18 0.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.485 . . . . 3.3999999999999999 110.87 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 t -95.24 136.04 36.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 1.53 110.894 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.71 145.15 4.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.54000000000000004 112.651 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -94.25 139.16 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 2.3799999999999999 111.039 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -128.31 150.28 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.608 . . . . 1.1299999999999999 110.555 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.595 HE21 ' HA ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -118.13 123.66 46.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.323 . . . . 1.3899999999999999 111.622 -179.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -71.56 133.77 31.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 116.246 -0.434 . . . . 1.24 110.358 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.665 HE21 ' HB2' ' A' ' 125' ' ' LYS . 73.8 mt-30 -106.47 -37.91 6.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.908 0.336 . . . . 2.2000000000000002 111.908 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 t -156.51 167.65 29.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.041 0.448 . . . . 1.72 111.74 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.543 HE22 ' HA ' ' A' ' 120' ' ' TYR . 14.5 tm0? -145.85 154.98 42.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.675 -0.693 . . . . 2.0099999999999998 110.342 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 42.1 mt-10 -113.78 136.88 52.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.67 0.271 . . . . 2.3900000000000001 111.325 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 93.8 m-20 66.52 120.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.032 -0.531 . . . . 1.8799999999999999 111.301 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' HB3' HD13 ' A' ' 29' ' ' ILE . 17.4 m-85 -130.07 -61.97 0.96 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.248 -0.433 . . . . 3.2599999999999998 111.461 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.564 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . 45.2 mt-10 -48.28 -47.45 67.31 Favored Pre-proline 0 N--CA 1.463 0.225 0 CA-C-N 116.043 -0.526 . . . . 1.96 111.897 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 32.5 Cg_exo -58.11 -40.75 74.28 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 121.662 1.575 . . . . 0.71999999999999997 112.192 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.7 -52.48 60.36 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.147 0.425 . . . . 1.46 112.147 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.706 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -59.73 -37.44 78.93 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.648 0.261 . . . . 4.4800000000000004 111.499 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 92.5 mttt -70.05 -45.2 67.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.587 -0.279 . . . . 2.27 111.533 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.09 -75.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.977 0.418 . . . . 0.84999999999999998 111.867 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.5 tpp -47.23 -36.93 9.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.585 -0.734 . . . . 2.0499999999999998 112.015 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.87 10.18 21.44 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.528 -0.844 . . . . 0.96999999999999997 112.143 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.706 ' HB3' ' HA ' ' A' ' 19' ' ' MET . 24.0 tp -74.26 149.56 86.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 108.747 -0.835 . . . . 1.45 108.747 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.539 ' HB2' HD13 ' A' ' 28' ' ' LEU . 3.1 Cg_exo -82.45 125.91 4.6 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.723 2.282 . . . . 0.93999999999999995 112.519 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HB3' ' SD ' ' A' ' 19' ' ' MET . 13.3 pt-20 -52.78 -33.37 48.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.052 -0.522 . . . . 1.99 111.187 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.37 -46.97 88.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.308 -0.406 . . . . 2.29 110.296 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 25' ' ' PRO . 11.3 mp -63.7 -36.11 82.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.843 -0.617 . . . . 1.6499999999999999 110.417 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.659 HD12 ' HG2' ' A' ' 19' ' ' MET . 3.8 mt -57.62 -48.78 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 1.27 111.2 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' HA ' ' HD3' ' A' ' 33' ' ' LYS . 80.7 mm-40 -60.34 -42.91 96.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.022 -0.535 . . . . 1.4399999999999999 111.543 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -68.72 -31.73 71.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.474 -0.33 . . . . 2.8399999999999999 111.252 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.19 -33.42 32.5 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.891 -0.671 . . . . 0.82999999999999996 113.368 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.478 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 17.9 ptmt -77.29 -27.54 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 1.8200000000000001 111.427 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -73.88 -25.6 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.345 -0.389 . . . . 1.8899999999999999 111.116 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -113.04 124.28 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 1.28 111.28 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -60.73 110.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 2.5800000000000001 111.012 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.69 173.93 29.42 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.942 -0.647 . . . . 0.48999999999999999 112.576 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.477 HG12 ' HB ' ' A' ' 53' ' ' THR . 3.4 p -132.91 142.56 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.80000000000000004 111.158 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -135.88 122.97 21.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.3999999999999999 110.634 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -125.0 143.34 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.612 0.244 . . . . 2.1600000000000001 110.685 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.1 mt -127.0 119.61 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 1.1599999999999999 111.476 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.0 t -108.33 114.69 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.52000000000000002 110.476 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -103.57 114.93 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 1.3100000000000001 111.024 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -138.87 104.26 5.02 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.089 -0.505 . . . . 2.5299999999999998 111.564 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 50.19 60.65 6.48 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 121.191 -0.528 . . . . 1.77 113.53 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 69.16 -18.61 0.18 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.18 0.437 . . . . 3.1499999999999999 112.18 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 45' ' ' GLY . 5.1 mptp? -90.36 108.37 19.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 2.71 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 49.1 t -106.41 140.51 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 1.3600000000000001 111.797 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.499 ' HG2' ' HG2' ' A' ' 62' ' ' GLU . 36.0 mtmm -118.49 128.32 54.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.672 -0.695 . . . . 2.54 110.347 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -106.29 128.7 54.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 1.6899999999999999 111.075 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.419 ' N ' HD13 ' A' ' 50' ' ' LEU . 27.8 m -125.78 126.16 44.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.63 111.032 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.5 mt -131.44 136.87 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 1.76 110.701 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.477 ' HB ' HG12 ' A' ' 38' ' ' VAL . 62.5 m -118.22 130.13 55.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 1.0 111.417 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -121.53 108.98 14.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 4.1799999999999997 110.266 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.58 -83.82 0.2 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.738 -0.744 . . . . 2.0 112.382 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -142.76 18.28 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 2.2000000000000002 110.969 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -111.09 136.37 50.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 2.5099999999999998 110.965 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.91 126.29 59.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.051 -0.522 . . . . 1.3799999999999999 110.522 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.0 mt -119.21 115.95 49.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 1.6000000000000001 110.785 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -118.9 143.21 47.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 2.7400000000000002 111.545 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -149.14 149.82 31.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 1.79 110.676 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.499 ' HG2' ' HG2' ' A' ' 49' ' ' LYS . 38.1 mt-10 -125.46 134.61 52.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 2.0099999999999998 111.015 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.424 ' HA ' ' SG ' ' A' ' 69' ' ' CYS . 8.2 p90 -148.94 151.56 34.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 1.6599999999999999 111.325 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 m -107.62 131.15 54.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.62 111.034 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 65' ' ' LEU . 4.3 pp -58.95 158.48 8.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.033 -0.53 . . . . 1.5700000000000001 111.424 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.545 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . 47.81 35.06 11.75 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.91 -0.586 . . . . 0.80000000000000004 112.985 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -161.91 142.9 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 2.6600000000000001 110.952 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.3 120.0 20.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 1.3200000000000001 110.702 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 63' ' ' PHE . 31.6 t -118.85 157.12 28.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.39 -0.368 . . . . 1.8600000000000001 110.651 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HG2' ' HE2' ' A' ' 78' ' ' LYS . 42.2 tt0 -107.84 120.56 42.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 1.71 111.184 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD23 ' H ' ' A' ' 71' ' ' LEU . 1.6 pt? -119.05 146.81 44.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 1.9099999999999999 110.863 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -84.55 131.39 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 2.1099999999999999 110.827 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.4 p -93.23 177.43 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 1.76 111.263 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.9 ptp -67.14 -26.96 66.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 3.79 110.791 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 p -79.1 -4.45 50.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 2.23 111.171 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.68 -14.16 56.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.569 -0.824 . . . . 1.47 112.189 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -75.46 140.31 42.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.809 0.338 . . . . 1.9399999999999999 110.76 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.52 ' HE2' ' HG2' ' A' ' 70' ' ' GLU . 14.4 mmmm -90.96 125.44 35.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 2.9399999999999999 111.075 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.7 m -121.87 147.38 25.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.43 . . . . 1.0600000000000001 111.172 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -106.5 136.58 46.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.282 -0.417 . . . . 3.1299999999999999 110.791 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.62 143.37 28.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.233 -0.44 . . . . 0.68999999999999995 111.696 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.3 t -99.6 115.09 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.3999999999999999 110.62 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG21 ' H72' ' A' ' 129' ' ' OLA . 3.2 p -107.3 122.9 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.988 0.423 . . . . 1.26 111.171 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.545 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 22.6 mtpp -134.39 151.74 51.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.925 -0.58 . . . . 2.1099999999999999 110.565 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -94.29 137.71 33.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.3 -0.409 . . . . 2.6200000000000001 110.669 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -100.2 -12.13 19.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.041 0.448 . . . . 2.0600000000000001 110.676 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.29 109.3 2.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 1.6200000000000001 113.365 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.548 ' C ' ' H ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER 54.19 -134.44 1.59 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.251 0.548 . . . . 2.8399999999999999 111.11 179.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.629 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 8.8 p30 -45.6 0.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.615 -1.175 . . . . 2.2200000000000002 113.67 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 89' ' ' ASN . 69.8 mmtt -128.89 123.33 32.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 118.716 0.689 . . . . 2.0499999999999998 112.774 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.7 mtp -139.5 129.99 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.114 -0.948 . . . . 1.96 109.259 177.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.41 118.31 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.247 0.546 . . . . 1.46 112.464 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.435 HG23 ' OG ' ' A' ' 100' ' ' SER . 1.5 t -134.59 129.39 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.432 -0.803 . . . . 0.52000000000000002 110.038 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -124.38 128.55 49.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 1.23 112.124 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -136.21 123.31 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.671 -0.695 . . . . 0.95999999999999996 109.74 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp 55.13 -153.73 0.31 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 2.52 110.163 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.19 12.86 35.74 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.52 -0.847 . . . . 0.82999999999999996 112.651 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 115' ' ' LEU . 25.8 mm -102.9 133.06 47.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 1.45 111.042 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -100.05 121.59 41.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.454 -0.339 . . . . 2.71 110.585 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 112' ' ' THR . 27.9 p -121.5 120.86 36.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 1.23 111.327 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 71.0 t -125.28 122.82 63.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.841 -0.618 . . . . 0.58999999999999997 110.179 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.4 m -113.5 132.08 55.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.383 . . . . 0.58999999999999997 111.721 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.629 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 21.1 tt0 -99.58 120.22 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 2.1000000000000001 110.042 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.623 ' N ' ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -95.14 115.07 26.95 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 113.15 0.796 . . . . 0.82999999999999996 113.15 -178.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 108' ' ' THR . 0.9 OUTLIER -125.87 153.34 44.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.947 -1.024 . . . . 1.72 109.992 178.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.5 27.65 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.375 -0.917 . . . . 1.4399999999999999 112.521 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -151.19 -47.67 0.12 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 120.694 0.283 . . . . 2.5499999999999998 111.438 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 58.0 m -138.93 123.65 18.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.853 0.358 . . . . 1.53 111.448 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 109' ' ' ILE . 2.1 mp -102.68 124.19 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 1.54 110.755 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.4 m -115.58 139.67 49.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.328 -0.396 . . . . 0.44 111.71 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.641 ' HB3' ' HG2' ' A' ' 122' ' ' ARG . 6.7 t30 -119.51 139.52 51.97 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.464 -0.335 . . . . 1.95 110.596 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 100' ' ' SER . 0.6 OUTLIER -119.51 119.14 32.98 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.201 0.445 . . . . 0.56999999999999995 112.201 -179.194 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.575 ' HG3' HD21 ' A' ' 111' ' ' ASN . 67.1 mtt -124.12 120.5 32.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.545 . . . . 1.51 109.609 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.4 m -127.37 125.44 40.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.224 0.453 . . . . 0.56000000000000005 112.224 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 98' ' ' ILE . 1.2 pt? -127.58 115.57 19.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.783 -0.644 . . . . 1.8500000000000001 109.863 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.63 -79.28 0.7 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.664 -0.779 . . . . 1.8 112.03 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -149.69 4.88 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 2.23 110.818 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.432 HD13 ' C ' ' A' ' 17' ' ' PRO . 17.3 mt -87.35 137.84 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.82999999999999996 111.754 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.3 t -110.72 117.0 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.969 -0.559 . . . . 1.3500000000000001 110.806 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.543 ' HA ' HE22 ' A' ' 12' ' ' GLN . 27.7 t80 -115.35 117.26 29.93 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.725 -0.472 . . . . 1.6699999999999999 109.725 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.463 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 39.9 ttpt -130.46 132.22 45.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 2.0499999999999998 111.537 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.641 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 16.7 ptt180 -116.67 131.23 57.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 2.3199999999999998 111.186 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.66 119.5 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.40999999999999998 110.352 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.0 m -119.56 140.29 50.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.94 0.4 . . . . 1.1399999999999999 111.57 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.665 ' HB2' HE21 ' A' ' 10' ' ' GLN . 0.0 OUTLIER -106.68 140.08 40.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.909 -0.587 . . . . 2.04 110.47 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -71.0 127.7 33.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 3.0899999999999999 111.074 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.5 pt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.026 -0.534 . . . . 1.3100000000000001 111.132 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' OLA . . . . . 0.462 ' H72' HG21 ' A' ' 83' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.806 0.336 . . . . 6.9100000000000001 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -84.48 98.8 10.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 3.46 111.114 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -146.96 -45.46 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.043 -0.526 . . . . 3.3999999999999999 111.052 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.9 t -103.44 130.71 50.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.169 -0.469 . . . . 1.53 111.154 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.88 177.41 43.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.693 -0.765 . . . . 0.54000000000000004 112.398 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.52 ' HG3' ' HG2' ' A' ' 40' ' ' GLU . 75.9 tttt -119.57 124.11 45.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.32 . . . . 2.3799999999999999 110.8 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -125.99 146.48 49.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 1.1299999999999999 110.463 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.595 HE22 HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -116.97 128.81 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 1.3899999999999999 111.607 -178.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.419 HG22 ' HD2' ' A' ' 122' ' ' ARG . 51.7 t -69.71 126.12 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 1.24 109.974 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.534 ' HA ' ' HZ1' ' A' ' 36' ' ' LYS . 53.7 mt-30 -101.04 -37.53 8.57 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.828 0.307 . . . . 2.2000000000000002 111.828 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.7 t -166.09 162.32 17.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.129 0.49 . . . . 1.72 111.67 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.551 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 12.9 tm0? -145.25 132.62 20.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.782 -0.645 . . . . 2.0099999999999998 110.351 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.78 134.68 37.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.688 0.28 . . . . 2.3900000000000001 111.024 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 62.79 100.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 1.8799999999999999 110.974 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -55.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.984 -0.553 . . . . 3.2599999999999998 111.127 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 40.2 mt-10 -48.86 -48.6 70.82 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 112.858 0.688 . . . . 1.96 112.858 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 16' ' ' GLU . 40.1 Cg_endo -66.58 -40.9 12.51 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.737 1.625 . . . . 0.71999999999999997 113.301 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.71 -49.88 55.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 1.46 111.323 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.651 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.45 -45.08 95.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 4.4800000000000004 112.046 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.551 ' N ' ' SD ' ' A' ' 19' ' ' MET . 12.0 tttm -70.43 -39.05 74.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.35 -0.386 . . . . 2.27 111.444 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.68 -11.97 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.084 0.469 . . . . 0.84999999999999998 110.515 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.8 tpt -101.18 -69.43 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.681 -0.69 . . . . 2.0499999999999998 110.653 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.55 6.48 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.947 -0.644 . . . . 0.96999999999999997 112.564 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.651 ' HB3' ' HB2' ' A' ' 19' ' ' MET . 14.3 tp -80.98 139.17 49.53 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 122.979 -0.13 . . . . 1.45 110.705 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 1.8 Cg_endo -83.45 123.72 3.46 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.178 2.585 . . . . 0.93999999999999995 112.712 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.742 ' HA ' HD12 ' A' ' 29' ' ' ILE . 35.1 tt0 -52.32 -28.35 18.87 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.215 -0.448 . . . . 1.99 112.168 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.25 -49.05 77.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.669 0.248 . . . . 2.29 111.669 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.4 -37.7 74.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.166 0.508 . . . . 1.6499999999999999 110.905 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 26' ' ' GLU . 14.4 mt -62.77 -40.4 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.483 -0.78 . . . . 1.27 112.43 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 25.9 mm-40 -54.45 -47.9 72.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 1.4399999999999999 111.078 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -69.81 -31.54 69.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 2.8399999999999999 111.558 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.55 -30.4 49.18 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.901 -0.666 . . . . 0.82999999999999996 114.105 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 21.3 ptmt -71.3 -28.85 64.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.257 0.528 . . . . 1.8200000000000001 111.171 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.03 -6.5 54.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.917 0.389 . . . . 1.8899999999999999 110.586 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.417 HD13 ' HA2' ' A' ' 55' ' ' GLY . 66.3 mt -114.27 125.1 71.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.922 -0.581 . . . . 1.28 111.178 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.534 ' HZ1' ' HA ' ' A' ' 10' ' ' GLN . 27.5 mtpp -61.66 114.63 3.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 2.5800000000000001 110.479 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.72 160.7 18.85 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.847 -0.692 . . . . 0.48999999999999999 112.632 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.595 HG22 HE22 ' A' ' 8' ' ' GLN . 20.4 t -122.62 133.34 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.57 0.224 . . . . 0.80000000000000004 110.68 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.433 ' HA ' HD13 ' A' ' 52' ' ' ILE . 79.8 p -135.07 128.33 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 1.3999999999999999 111.289 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' HG2' ' HG3' ' A' ' 6' ' ' LYS . 41.4 mt-10 -134.61 127.72 31.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 2.1600000000000001 110.56 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.3 mp -113.75 119.11 60.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.881 0.372 . . . . 1.1599999999999999 111.46 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 91.6 t -108.36 114.68 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.52000000000000002 110.329 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -103.1 116.28 32.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.766 0.317 . . . . 1.3100000000000001 111.172 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -138.13 101.93 4.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.136 -0.483 . . . . 2.5299999999999998 111.482 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 47' ' ' LYS . . . 47.38 64.97 2.55 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.275 -0.488 . . . . 1.77 113.31 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 65' ' ' LEU . 54.7 mtmt 68.58 -17.84 0.18 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.173 0.434 . . . . 3.1499999999999999 112.173 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 45' ' ' GLY . 59.7 mtpt -90.42 108.62 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.119 -0.326 . . . . 2.71 110.119 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 60.5 t -108.28 124.97 65.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.981 0.419 . . . . 1.3600000000000001 111.887 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -99.02 127.0 44.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.882 -0.599 . . . . 2.54 110.032 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.98 124.26 51.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 1.6899999999999999 110.826 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.3 m -125.68 127.22 45.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.63 111.357 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 39' ' ' SER . 44.2 mm -127.71 127.65 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 1.76 110.456 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.3 m -111.09 131.13 55.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.015 0.436 . . . . 1.0 111.702 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -120.67 109.41 15.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.774 -0.648 . . . . 4.1799999999999997 110.422 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' HA2' HD13 ' A' ' 35' ' ' ILE . . . 69.18 -85.07 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 2.0 112.497 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.3 p -138.59 13.76 2.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.713 0.292 . . . . 2.2000000000000002 111.416 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -112.95 129.67 56.4 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.389 -0.369 . . . . 2.5099999999999998 111.202 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.9 t -102.32 126.42 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 1.3799999999999999 110.583 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -112.16 121.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 1.6000000000000001 110.825 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -109.88 144.31 38.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 2.7400000000000002 111.518 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -147.75 161.68 40.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.945 -0.57 . . . . 1.79 110.78 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -145.26 129.05 17.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 2.0099999999999998 111.126 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -148.61 152.65 37.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 1.6599999999999999 111.146 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' ' 67' ' ' GLU . 33.1 m -96.0 131.96 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.62 110.717 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 46' ' ' LYS . 96.5 mt -41.83 -93.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.932 0.715 . . . . 1.5700000000000001 112.932 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.449 ' HA2' ' HG2' ' A' ' 84' ' ' LYS . . . -74.91 40.91 1.21 Allowed Glycine 0 C--N 1.316 -0.545 0 CA-C-N 115.467 -0.788 . . . . 0.80000000000000004 113.698 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.553 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 16.6 mm-40 -149.76 132.47 15.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 2.6600000000000001 110.752 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -74.17 119.07 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 1.3200000000000001 110.515 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.5 t -116.52 157.43 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 1.8600000000000001 110.996 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -98.2 119.35 36.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.118 -0.492 . . . . 1.71 110.989 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.514 HD22 H111 ' A' ' 129' ' ' OLA . 7.3 mp -111.56 145.72 38.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 1.9099999999999999 110.747 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -85.97 134.17 33.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 2.1099999999999999 111.008 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.6 p -89.57 171.32 9.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 1.76 110.926 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.9 tpp -68.97 -25.62 64.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 3.79 110.82 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.6 p -78.89 -23.43 44.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 2.23 111.018 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.15 7.98 34.46 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.833 -0.699 . . . . 1.47 111.99 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -88.92 146.06 25.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 1.9399999999999999 110.86 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -91.42 119.15 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 2.9399999999999999 110.776 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.17 146.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.25 -0.432 . . . . 1.0600000000000001 111.21 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -108.57 132.91 53.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 3.1299999999999999 110.619 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.53 142.37 27.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.95 0.405 . . . . 0.68999999999999995 111.607 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.4 p -123.52 115.01 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 1.3999999999999999 110.813 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.421 HG23 ' HB ' ' A' ' 93' ' ' THR . 2.8 p -109.77 116.02 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 1.26 110.934 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.449 ' HG2' ' HA2' ' A' ' 66' ' ' GLY . 26.3 mtpp -104.64 143.36 33.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.398 -0.364 . . . . 2.1099999999999999 110.909 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.12 140.54 44.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 2.6200000000000001 111.008 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -104.12 -21.95 13.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 2.0600000000000001 110.801 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.95 33.47 62.68 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.65 -0.786 . . . . 1.6200000000000001 112.315 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -151.42 59.1 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.459 0.171 . . . . 2.8399999999999999 111.155 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.616 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 9.3 t30 54.85 14.24 0.87 Allowed 'General case' 0 C--O 1.225 -0.196 0 CA-C-O 120.644 0.259 . . . . 2.2200000000000002 110.997 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.7 128.39 30.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.204 0.526 . . . . 2.0499999999999998 112.132 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 54.9 ttm -142.02 146.79 35.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.242 -0.89 . . . . 1.96 109.867 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -131.54 122.36 50.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.047 0.451 . . . . 1.46 112.048 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.615 HG23 ' HB2' ' A' ' 100' ' ' SER . 4.8 t -133.65 135.25 44.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.83 -0.623 . . . . 0.52000000000000002 110.76 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.2 p -126.24 126.34 43.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.664 0.269 . . . . 1.23 111.566 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.5 ' HD2' ' HZ1' ' A' ' 96' ' ' LYS . 29.6 p90 -139.14 128.1 23.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.95999999999999996 111.209 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HZ1' ' HD2' ' A' ' 95' ' ' PHE . 36.0 mtmm 58.53 22.23 9.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 2.52 112.091 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.4 4.2 83.67 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.583 -0.818 . . . . 0.82999999999999996 112.967 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 69.0 mt -90.19 139.11 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.575 0.226 . . . . 1.45 110.426 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -95.89 118.07 31.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.89 0.376 . . . . 2.71 111.226 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.615 ' HB2' HG23 ' A' ' 93' ' ' THR . 62.1 m -122.41 120.28 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.576 . . . . 1.23 110.74 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.7 t -108.74 120.32 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.4 . . . . 0.58999999999999997 110.753 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 91' ' ' MET . 40.0 m -116.47 122.82 45.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.55 . . . . 0.58999999999999997 111.662 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -96.65 131.78 42.97 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.304 -0.628 . . . . 2.1000000000000001 109.304 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.616 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -110.07 116.17 31.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.112 0.782 . . . . 0.82999999999999996 113.112 -177.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.43 153.57 43.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.258 -0.883 . . . . 1.72 110.223 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.03 36.47 1.7 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.631 -0.795 . . . . 1.4399999999999999 112.856 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -172.89 -28.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.859 0.318 . . . . 2.5499999999999998 111.859 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.0 m -140.97 133.52 28.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.895 0.378 . . . . 1.53 111.86 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.401 ' HB ' ' OG ' ' A' ' 124' ' ' SER . 40.6 mm -118.47 121.57 67.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 1.54 110.902 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -110.91 139.3 46.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.401 -0.363 . . . . 0.44 111.325 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 121' ' ' LYS . 24.7 t-20 -123.93 131.74 53.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.281 -0.418 . . . . 1.95 111.022 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 100' ' ' SER . 1.8 m -120.29 118.39 30.3 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.392 -0.367 . . . . 0.56999999999999995 111.491 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.623 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 63.8 mtt -124.38 127.37 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.079 -0.341 . . . . 1.51 110.079 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.5 m -120.67 121.81 39.09 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.985 0.422 . . . . 0.56000000000000005 111.976 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.418 ' C ' HD13 ' A' ' 115' ' ' LEU . 3.1 tm? -144.59 115.78 7.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.814 -0.63 . . . . 1.8500000000000001 109.855 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.43 95.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.542 -0.837 . . . . 1.8 112.268 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 66.82 5.59 4.08 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 122.382 0.273 . . . . 2.23 111.656 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.4 mt -87.5 137.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.589 -0.278 . . . . 0.82999999999999996 110.75 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.2 t -105.13 134.28 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.179 0.514 . . . . 1.3500000000000001 111.747 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.623 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 42.1 t80 -125.11 120.15 30.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.563 -0.744 . . . . 1.6699999999999999 110.032 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.551 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 40.4 ttpt -128.22 124.25 36.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.462 -0.336 . . . . 2.0499999999999998 111.322 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.419 ' HD2' HG22 ' A' ' 9' ' ' VAL . 41.6 ttp180 -112.41 122.77 48.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 2.3199999999999998 110.567 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 62.1 t -102.51 119.59 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.942 -0.572 . . . . 0.40999999999999998 110.57 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 89.1 p -130.24 138.95 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.854 0.359 . . . . 1.1399999999999999 111.051 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.28 144.42 44.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.058 -0.519 . . . . 2.04 110.869 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -71.34 133.89 46.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 3.0899999999999999 111.151 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.2 pt . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.187 -0.46 . . . . 1.3100000000000001 111.065 179.722 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' OLA . . . . . 0.514 H111 HD22 ' A' ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.725 0.298 . . . . 6.9100000000000001 111.002 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -100.03 106.55 18.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 3.46 110.938 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.14 -37.73 0.51 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 3.3999999999999999 110.93 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.9 p -97.8 129.26 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 1.53 110.927 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.57 167.44 38.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.777 . . . . 0.54000000000000004 112.579 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -107.29 118.73 37.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 2.3799999999999999 110.539 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -119.63 150.57 40.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 1.1299999999999999 110.742 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.618 HE22 HG22 ' A' ' 38' ' ' VAL . 7.7 tp-100 -126.22 129.88 49.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 1.3899999999999999 110.848 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.6 t -68.99 136.47 26.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.489 . . . . 1.24 110.611 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -109.14 -42.49 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 2.2000000000000002 111.3 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -161.4 163.05 30.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.05 0.453 . . . . 1.72 111.47 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.583 ' NE2' ' H ' ' A' ' 121' ' ' LYS . 7.9 tm0? -145.68 133.07 20.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.737 -0.665 . . . . 2.0099999999999998 110.26 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -94.27 126.59 39.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.726 -0.216 . . . . 2.3900000000000001 110.671 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.584 ' ND2' HG22 ' A' ' 118' ' ' ILE . 0.4 OUTLIER 80.15 148.23 0.09 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.89 0.744 . . . . 1.8799999999999999 111.122 -179.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -166.95 -45.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 3.2599999999999998 111.522 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . 10.0 mm-40 -63.18 -49.9 78.08 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.163 0.431 . . . . 1.96 112.163 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 16' ' ' GLU . 12.2 Cg_exo -70.43 -41.47 3.4 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.983 1.789 . . . . 0.71999999999999997 112.685 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' HB2' HD21 ' A' ' 14' ' ' ASN . 81.2 t80 -59.95 -52.15 66.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 1.46 111.056 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.594 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 23.0 mmt -65.46 -38.38 89.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 4.4800000000000004 111.609 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.501 ' NZ ' ' HB3' ' A' ' 26' ' ' GLU . 12.8 mptt -58.06 -43.7 87.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.105 0.479 . . . . 2.27 110.419 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -17.22 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.543 -0.753 . . . . 0.84999999999999998 110.803 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.1 tpp -93.78 -76.71 0.47 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.793 -0.64 . . . . 2.0499999999999998 110.715 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.49 39.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.011 -0.614 . . . . 0.96999999999999997 112.325 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 17.5 tp -117.74 133.43 23.32 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.547 0.213 . . . . 1.45 110.864 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' A' ' 24' ' ' LEU . 63.2 Cg_endo -71.73 136.49 28.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.505 2.137 . . . . 0.93999999999999995 112.47 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.812 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -51.59 -33.56 33.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.718 -0.674 . . . . 1.99 111.801 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -56.34 -47.74 78.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.723 0.297 . . . . 2.29 110.972 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.521 HD13 ' HG2' ' A' ' 25' ' ' PRO . 11.0 mp -69.66 -36.97 76.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 1.6499999999999999 111.401 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 26' ' ' GLU . 58.0 mt -59.11 -48.58 86.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 1.27 111.885 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 23.2 mm-40 -57.23 -41.57 79.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.034 -0.53 . . . . 1.4399999999999999 111.504 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -68.76 -31.73 70.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.371 . . . . 2.8399999999999999 111.223 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.14 -49.33 12.92 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.931 -0.652 . . . . 0.82999999999999996 112.819 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -65.49 -32.16 73.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.738 0.304 . . . . 1.8200000000000001 111.166 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.51 -19.88 65.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 1.8899999999999999 110.945 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.2 mt -114.07 127.07 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 1.28 111.225 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.85 124.96 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 2.5800000000000001 110.596 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.8 158.94 53.36 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.738 -0.744 . . . . 0.48999999999999999 112.566 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.618 HG22 HE22 ' A' ' 8' ' ' GLN . 17.7 t -122.26 133.4 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.556 0.217 . . . . 0.80000000000000004 110.59 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.529 ' HA ' HD13 ' A' ' 52' ' ' ILE . 80.0 p -135.16 128.04 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.01 0.433 . . . . 1.3999999999999999 111.905 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -134.98 132.19 38.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 2.1600000000000001 109.677 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.472 HD11 ' H21' ' A' ' 129' ' ' OLA . 13.6 mt -125.06 122.3 62.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.236 0.458 . . . . 1.1599999999999999 112.236 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.23 114.58 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.52000000000000002 110.048 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -103.98 118.79 37.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 1.3100000000000001 111.5 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -136.53 103.91 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.935 -0.575 . . . . 2.5299999999999998 110.521 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.97 -94.64 0.18 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 1.77 112.242 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -127.96 -17.64 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 3.1499999999999999 110.678 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -91.3 112.98 25.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.504 . . . . 2.71 110.729 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 63' ' ' PHE . 10.8 p -109.74 141.96 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 1.3600000000000001 111.027 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.547 ' HG2' ' HB3' ' A' ' 62' ' ' GLU . 59.9 mttp -116.29 123.76 48.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.294 -0.412 . . . . 2.54 110.839 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.9 tp -110.43 123.48 49.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.935 -0.575 . . . . 1.6899999999999999 110.767 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.1 m -118.28 126.71 52.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.63 111.149 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' A' ' 39' ' ' SER . 30.9 mm -130.56 125.92 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 1.76 110.057 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 91.5 m -105.3 128.09 53.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.049 0.452 . . . . 1.0 112.014 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 57' ' ' LYS . 34.0 m-85 -123.97 108.75 12.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.579 -0.737 . . . . 4.1799999999999997 110.776 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.01 66.52 2.14 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.64 -0.791 . . . . 2.0 113.183 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 m 66.75 -0.03 1.74 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.781 0.659 . . . . 2.2000000000000002 112.781 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 54' ' ' TYR . 39.5 ttpt -96.64 136.17 37.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.753 0.311 . . . . 2.5099999999999998 110.608 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.9 t -105.26 126.42 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.381 -0.372 . . . . 1.3799999999999999 111.444 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.441 HD11 ' HE3' ' A' ' 57' ' ' LYS . 50.7 mt -116.86 116.18 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 1.6000000000000001 110.481 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -118.25 140.29 50.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.349 -0.387 . . . . 2.7400000000000002 111.742 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -158.64 119.32 3.31 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.074 -0.512 . . . . 1.79 111.089 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.547 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 10.1 pt-20 -106.08 140.58 38.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.37 -0.377 . . . . 2.0099999999999998 110.482 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 48' ' ' VAL . 1.8 p90 -148.83 152.3 36.26 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.03 0.443 . . . . 1.6599999999999999 111.557 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -96.65 131.24 43.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.902 -0.59 . . . . 0.62 111.236 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' A' ' 65' ' ' LEU . 15.3 mt -52.92 134.14 37.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.729 -0.669 . . . . 1.5700000000000001 110.98 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.31 44.07 98.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.80000000000000004 112.389 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -153.12 148.93 27.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.719 0.295 . . . . 2.6600000000000001 110.766 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.431 ' HA ' HG22 ' A' ' 82' ' ' VAL . 44.1 tt0 -81.32 119.04 23.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 1.3200000000000001 110.62 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.6 t -119.8 158.29 26.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 1.8600000000000001 110.61 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.449 ' C ' HD22 ' A' ' 71' ' ' LEU . 43.9 tt0 -95.18 119.07 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 1.71 111.052 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.449 HD22 ' C ' ' A' ' 70' ' ' GLU . 3.4 mm? -120.06 145.91 46.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.711 -0.677 . . . . 1.9099999999999999 110.301 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -85.49 148.0 26.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.763 0.316 . . . . 2.1099999999999999 110.423 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.7 p -95.49 177.97 5.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 1.76 110.947 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.92 -12.82 57.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 3.79 110.57 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.6 p -103.46 -1.75 27.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.605 . . . . 2.23 111.194 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.13 3.37 79.34 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.697 -0.763 . . . . 1.47 112.159 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.98 136.11 37.12 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.768 0.318 . . . . 1.9399999999999999 110.822 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' HE2' ' HG2' ' A' ' 70' ' ' GLU . 13.6 mmmm -85.42 124.49 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 2.9399999999999999 111.304 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.3 m -129.8 164.46 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.937 -0.574 . . . . 1.0600000000000001 110.944 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -107.03 131.88 53.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 3.1299999999999999 111.453 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.88 142.0 27.16 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 0.68999999999999995 111.795 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 68' ' ' GLU . 66.0 t -103.91 120.12 53.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.044 -0.525 . . . . 1.3999999999999999 110.885 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 t -100.24 117.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 1.26 110.203 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -127.27 151.26 48.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 2.1099999999999999 111.305 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.8 mtm -110.74 120.75 43.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 2.6200000000000001 110.779 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.696 ' H ' ' HA ' ' A' ' 91' ' ' MET . 9.3 tp10 -72.07 -10.79 60.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.059 0.457 . . . . 2.0600000000000001 110.384 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.81 -124.7 3.88 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.703 -0.68 . . . . 1.6200000000000001 112.808 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 7.6 m-20 -98.59 127.55 44.56 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.811 0.339 . . . . 2.8399999999999999 110.859 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 104' ' ' PHE . 3.9 t-20 73.42 -10.1 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.328 -0.851 . . . . 2.2200000000000002 111.889 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 128.74 38.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.085 0.469 . . . . 2.0499999999999998 112.066 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.696 ' HA ' ' H ' ' A' ' 86' ' ' GLU . 61.7 mtt -141.1 135.48 30.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.582 -0.736 . . . . 1.96 110.104 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.4 117.95 56.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 120.949 0.404 . . . . 1.46 112.089 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 100' ' ' SER . 2.2 t -135.32 125.4 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 0.52000000000000002 110.391 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.1 p -126.4 139.3 53.38 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.04 0.385 . . . . 1.23 112.04 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -138.73 133.54 32.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.01 -0.541 . . . . 0.95999999999999996 110.666 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt 59.38 -88.6 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.233 -0.439 . . . . 2.52 111.05 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -149.72 3.66 0.62 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.018 -0.611 . . . . 0.82999999999999996 111.906 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 98' ' ' ILE . 4.1 mp -90.91 139.57 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.638 0.256 . . . . 1.45 110.756 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -95.35 120.08 34.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.405 -0.361 . . . . 2.71 110.666 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.428 ' HB3' HG23 ' A' ' 93' ' ' THR . 47.6 t -121.54 120.88 36.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.044 -0.526 . . . . 1.23 111.156 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.5 t -120.35 122.76 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 0.58999999999999997 110.205 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 87.2 m -112.22 125.52 54.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 0.58999999999999997 111.844 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 89' ' ' ASN . 33.3 mt-10 -96.48 128.35 43.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.966 -0.561 . . . . 2.1000000000000001 109.851 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -109.21 116.52 32.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.163 0.506 . . . . 0.82999999999999996 112.196 -178.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER -125.28 153.46 43.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.543 -0.753 . . . . 1.72 110.382 179.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.35 43.83 2.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.622 -0.799 . . . . 1.4399999999999999 112.936 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -172.79 -41.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.732 0.301 . . . . 2.5499999999999998 111.171 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 75.0 m -140.98 124.7 16.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 1.53 111.794 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 109' ' ' ILE . 1.9 mp -106.6 121.34 59.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.145 -0.48 . . . . 1.54 110.463 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.1 m -115.15 139.62 49.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.44 111.482 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.56 ' ND2' ' HG3' ' A' ' 113' ' ' MET . 7.9 t30 -112.95 141.62 46.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 1.95 110.431 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.0 m -119.35 118.63 31.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.746 0.308 . . . . 0.56999999999999995 111.799 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.571 ' HB2' ' HB3' ' A' ' 120' ' ' TYR . 60.8 mtt -124.27 121.33 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.51 110.264 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.7 m -126.57 122.28 34.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.56000000000000005 111.445 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.424 HD12 HG12 ' A' ' 98' ' ' ILE . 8.8 tt -128.66 115.08 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.999 -0.546 . . . . 1.8500000000000001 109.987 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.58 -73.45 1.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 1.8 112.194 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -164.1 16.93 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 2.23 110.643 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.584 HG22 ' ND2' ' A' ' 14' ' ' ASN . 4.0 mt -105.28 137.58 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.82999999999999996 110.74 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.6 p -104.8 137.38 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.293 0.568 . . . . 1.3500000000000001 112.359 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.571 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 42.2 t80 -131.18 119.91 22.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.192 -0.913 . . . . 1.6699999999999999 109.658 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.583 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 48.7 mttm -127.64 129.35 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 2.0499999999999998 111.353 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -112.4 122.1 46.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 2.3199999999999998 110.253 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.51 120.72 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.40999999999999998 110.784 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 80.1 p -131.87 132.76 43.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 1.1399999999999999 111.193 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.24 133.15 51.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.985 -0.552 . . . . 2.04 110.552 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -71.15 143.86 50.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 3.0899999999999999 111.006 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.2 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 1.3100000000000001 111.154 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' OLA . . . . . 0.472 ' H21' HD11 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_